5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene

C36H32 — CID 59282201

IUPAC5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene
SMILESCc1cc(-c2cc3cc(-c4cc(C)c(C)c(C)c4)c4ccccc4c3c3ccccc23)cc(C)c1C
InChIInChI=1S/C36H32/c1-21-15-27(16-22(2)25(21)5)34-19-29-20-35(28-17-23(3)26(6)24(4)18-28)31-12-8-10-14-33(31)36(29)32-13-9-7-11-30(32)34/h7-20H,1-6H3
InChIKeyUUDNAMAXCBSGSU-UHFFFAOYSA-N
MW464.65 g/mol
LogP10.33
Rot. Bonds2

About 5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene

5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene (PubChem CID 59282201) has the molecular formula C36H32 and a molecular weight of 464.65 g/mol. Its IUPAC name is 5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene.

Molecular Properties

Compound Name5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene
PubChem CID59282201
Molecular FormulaC36H32
Molecular Weight464.65 g/mol
Exact Mass464.25
IUPAC Name5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene
SMILESCc1cc(-c2cc3cc(-c4cc(C)c(C)c(C)c4)c4ccccc4c3c3ccccc23)cc(C)c1C
InChIInChI=1S/C36H32/c1-21-15-27(16-22(2)25(21)5)34-19-29-20-35(28-17-23(3)26(6)24(4)18-28)31-12-8-10-14-33(31)36(29)32-13-9-7-11-30(32)34/h7-20H,1-6H3
InChIKeyUUDNAMAXCBSGSU-UHFFFAOYSA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene
CID 59282192
5,8-bis(4-phenylphenyl)benzo[c]phenanthrene
CID 58526355
8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282122
4,7-diphenyl-2,9-bis(3,4,5-trimethylphenyl)-1,10-phenanthroline
CID 22972089
5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene
CID 59282523
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline
CID 59282390
2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran
CID 59282074
4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline
CID 58971578
1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane
CID 157145365
5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene
CID 123689290
1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667

Frequently Asked Questions

What is the IUPAC name of 5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene?
The IUPAC name of 5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene (CID 59282201) is 5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene.
What is the SMILES notation for 5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene?
The canonical SMILES for 5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene is Cc1cc(-c2cc3cc(-c4cc(C)c(C)c(C)c4)c4ccccc4c3c3ccccc23)cc(C)c1C.
What is the InChIKey of 5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene?
The InChIKey is UUDNAMAXCBSGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32/c1-21-15-27(16-22(2)25(21)5)34-19-29-20-35(28-17-23(3)26(6)24(4)18-28)31-12-8-10-14-33(31)36(29)32-13-9-7-11-30(32)34/h7-20H,1-6H3.
What are the key properties of 5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene?
5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene has a molecular weight of 464.65 g/mol, XLogP of 10.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene is sourced from PubChem (CID 59282201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).