Perylene
PubChem CID: 9142
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| Compound Synonyms | PERYLENE, 198-55-0, peri-Dinaphthalene, Perilene, Dibenz[de,kl]anthracene, alpha-Perylene, Dibenz(de,kl)anthracene, CCRIS 1231, Perylen, HSDB 6767, .alpha.-Perylene, NSC 6512, EINECS 205-900-9, MFCD00004142, UNII-5QD5427UN7, 5QD5427UN7, PERYLENE [HSDB], PERYLENE [IARC], NSC-6512, PERYLENE [MI], DTXSID4047753, CHEBI:29861, PERYLENE (IARC), Peri Dinaphthalene, alphaPerylene, periDinaphthalene, Perylene 10 microg/mL in Cyclohexane, Perylene, >=99%, Perylene 2000 microg/mL in Dichloromethane, Perylene, analytical standard, CHEMBL4296691, DTXCID9027736, NSC6512, Perylene (purified by sublimation), AKOS003617771, Perylene, sublimed grade, >=99.5%, FD52493, HY-W090294, Perylene 10 microg/mL in Acetonitrile, AS-17363, SY049661, DB-045012, CS-0134016, NS00007842, P0078, P1629, C19497, Q417674, F0123-0004, 205-900-9, 69736-15-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCCC3C4CCCC5CCCC(C(C1)C23)C54 |
| Np Classifier Class | Phenanthrenes |
| Deep Smiles | cccccccc6cc%10)cccccc6c%10ccc6 |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Phenanthrenes and derivatives |
| Scaffold Graph Node Level | C1CC2CCCC3C4CCCC5CCCC(C(C1)C23)C54 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 304.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | perylene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 5.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H12 |
| Scaffold Graph Node Bond Level | c1cc2cccc3c4cccc5cccc(c(c1)c23)c54 |
| Inchi Key | CSHWQDPOILHKBI-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | perilene, perrilene, peryllene |
| Esol Class | Poorly soluble |
| Compound Name | Perylene |
| Exact Mass | 252.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 252.3 |
| Gi Absorption | False |
| 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/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H |
| Smiles | C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenanthrenoids |
- 1. Outgoing r'ship
FOUND_INto/from Erigeron Bonariensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1434092 - 2. Outgoing r'ship
FOUND_INto/from Juniperus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643434 - 3. Outgoing r'ship
FOUND_INto/from Santolina Chamaecyparissus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884769