Carbazole
PubChem CID: 6854
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| Compound Synonyms | CARBAZOLE, 9H-Carbazole, 86-74-8, Dibenzopyrrole, Diphenylenimine, 9-Azafluorene, Diphenylenimide, Diphenyleneimine, Dibenzo[b,d]pyrrole, Dibenzo(b,d)pyrrole, USAF EK-600, NSC 3498, CCRIS 121, SKF 20091, HSDB 2164, EINECS 201-696-0, 0P2197HHHN, DTXSID4020248, CHEBI:27543, AI3-00096, CARBAZOLE [MI], NSC-3498, CARBAZOLE [HSDB], CARBAZOLE [IARC], MFCD00004960, DTXCID40248, EC 201-696-0, CARBAZOLE (IARC), diphenyleneimide, CAS-86-74-8, SMR000112232, dibenzopyrroles, UNII-0P2197HHHN, para-carbazole, 9hcarbazole, 9Azafluorene, 9H carbazole, (E)-2-((Furan-2-yl)methylidene)-7-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one, (E)-2-[(Furan-2-yl)methylidene]-7-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one, 9-H-carbazole, 9CA, Carbazole, 96%, Chlorophenesin carbamate, Carbazole (High Purity), 9H-carbazole-d8 (9ci), bmse000666, SCHEMBL7650, MLS001066363, MLS002415721, Carbazole, analytical standard, Carbazole, extra pure, 98%, WLN: T B656 HMJ, Carbazole, >=95% (GC), CHEBI:3391, CHEMBL243580, SCHEMBL6026794, CHEBI:39205, NSC3498, HMS2267P20, STR04484, Tox21_201703, Tox21_302847, STK671343, AKOS000119129, AT24454, Carbazole 1000 microg/mL in Methanol, DB07301, FC07721, PS-4072, NCGC00091233-01, NCGC00091233-02, NCGC00091233-03, NCGC00256533-01, NCGC00259252-01, DB-038198, DS-017121, C3722, NS00014228, Carbazole, VETRANAL(TM), analytical standard, EN300-19085, C08060, A841825, Q424003, F0001-2148, Z104472702, (E)-2-(Furan-2-ylmethylidene)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one, (E)-6-Chloro-2-(furan-2-ylmethylidene)-2,3,4,9-tetrahydro-1H-carbazol-1-one, 201-696-0, 51555-21-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 15.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | cccccc6)[nH]cc5cccc6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCCCC12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 170.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P52732, Q99714, P00352, P10275, P80244, P51449, O42713, Q03431, Q16236, P04792 |
| Iupac Name | 9H-carbazole |
| Prediction Hob | 1.0 |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT149, NPT94 |
| Xlogp | 3.7 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Carbazoles |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H9N |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UJOBWOGCFQCDNV-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | -4.265 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.522 |
| Synonyms | 9-Azafluorene, Dibenzo[b,D]pyrrole, Dibenzopyrrole, Diphenylenimide, Diphenylenimine, 9H-Carbazole, Dibenzo(b,D)pyrrole, Carbazole, carbazole |
| Esol Class | Soluble |
| Functional Groups | c[nH]c |
| Compound Name | Carbazole |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 167.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 167.073 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 167.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.7524081999999996 |
| Inchi | InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H |
| Smiles | C1=CC=C2C(=C1)C3=CC=CC=C3N2 |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Carbazoles |
| Np Classifier Superclass | Tryptophan alkaloids |
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FOUND_INto/from Aerva Koenigii (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Bergera Koenigii (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Clausena Heptaphylla (Plant) Rel Props:Reference:ISBN:9788172360481 - 4. Outgoing r'ship
FOUND_INto/from Glycosmis Pentaphylla (Plant) Rel Props:Reference:ISBN:9788172360481; ISBN:9788172360818 - 5. Outgoing r'ship
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FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
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