2,3-diphenyl-1H-pyrrole
PubChem CID: 10104838
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| Compound Synonyms | 2,3-diphenyl-1H-pyrrole, 2,3-diphenylpyrrole, 26093-30-1, diphenylpyrrole, SCHEMBL3424232, VNMNSTIGSQBDPI-UHFFFAOYSA-N, MFCD00963330, SY320211 |
|---|---|
| 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 | C1CCC(C2CCCC2C2CCCCC2)CC1 |
| Deep Smiles | cccccc6))c[nH]ccc5cccccc6 |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Pyrroles |
| Scaffold Graph Node Level | C1CCC(C2CCNC2C2CCCCC2)CC1 |
| Classyfire Subclass | Substituted pyrroles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 226.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-diphenyl-1H-pyrrole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H13N |
| Scaffold Graph Node Bond Level | c1ccc(-c2cc[nH]c2-c2ccccc2)cc1 |
| Inchi Key | VNMNSTIGSQBDPI-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2,3-diphenylpyrrole |
| Esol Class | Moderately soluble |
| Functional Groups | c[nH]c |
| Compound Name | 2,3-diphenyl-1H-pyrrole |
| Exact Mass | 219.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 219.105 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 219.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H13N/c1-3-7-13(8-4-1)15-11-12-17-16(15)14-9-5-2-6-10-14/h1-12,17H |
| Smiles | C1=CC=C(C=C1)C2=C(NC=C2)C3=CC=CC=C3 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Gnetum Montanum (Plant) Rel Props:Reference:ISBN:9788172362300