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

C34H28 — CID 59282192

IUPAC5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene
SMILESCc1cc(C)cc(-c2cc3cc(-c4cc(C)cc(C)c4)c4ccccc4c3c3ccccc23)c1
InChIInChI=1S/C34H28/c1-21-13-22(2)16-25(15-21)32-19-27-20-33(26-17-23(3)14-24(4)18-26)29-10-6-8-12-31(29)34(27)30-11-7-5-9-28(30)32/h5-20H,1-4H3
InChIKeyKFNHHEQWWDGKSJ-UHFFFAOYSA-N
MW436.60 g/mol
LogP9.71
Rot. Bonds2

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

5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene (PubChem CID 59282192) has the molecular formula C34H28 and a molecular weight of 436.60 g/mol. Its IUPAC name is 5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene.

Molecular Properties

Compound Name5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene
PubChem CID59282192
Molecular FormulaC34H28
Molecular Weight436.60 g/mol
Exact Mass436.22
IUPAC Name5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene
SMILESCc1cc(C)cc(-c2cc3cc(-c4cc(C)cc(C)c4)c4ccccc4c3c3ccccc23)c1
InChIInChI=1S/C34H28/c1-21-13-22(2)16-25(15-21)32-19-27-20-33(26-17-23(3)14-24(4)18-26)29-10-6-8-12-31(29)34(27)30-11-7-5-9-28(30)32/h5-20H,1-4H3
InChIKeyKFNHHEQWWDGKSJ-UHFFFAOYSA-N
XLogP9.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene
CID 59282201
1-(3,5-dimethylphenyl)perylene
CID 20517158
8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282122
5,8-bis(4-phenylphenyl)benzo[c]phenanthrene
CID 58526355
9-(3-methyl-5-phenylphenyl)phenanthrene
CID 156682596
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene
CID 59282523
1,3-dimethyl-5-(2-methylphenyl)benzene
CID 12639839
5,20-bis(3,5-dimethylphenyl)undecacyclo[25.12.2.128,32.02,23.04,21.06,19.07,12.013,18.024,40.037,41.036,42]dotetraconta-1(40),2(23),3,5,7,9,11,13,15,17,19,21,24,26,28,30,32(42),33,35,37(41),38-henicosaene
CID 123883771
6-(3-methyl-5-phenanthren-9-ylphenyl)-12-[3-phenanthren-9-yl-5-(trifluoromethyl)phenyl]chrysene
CID 89296439
N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine
CID 59282472
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956

Frequently Asked Questions

What is the IUPAC name of 5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene?
The IUPAC name of 5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene (CID 59282192) is 5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene.
What is the SMILES notation for 5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene?
The canonical SMILES for 5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene is Cc1cc(C)cc(-c2cc3cc(-c4cc(C)cc(C)c4)c4ccccc4c3c3ccccc23)c1.
What is the InChIKey of 5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene?
The InChIKey is KFNHHEQWWDGKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28/c1-21-13-22(2)16-25(15-21)32-19-27-20-33(26-17-23(3)14-24(4)18-26)29-10-6-8-12-31(29)34(27)30-11-7-5-9-28(30)32/h5-20H,1-4H3.
What are the key properties of 5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene?
5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene has a molecular weight of 436.60 g/mol, XLogP of 9.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene is sourced from PubChem (CID 59282192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).