3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole

C31H27N — CID 144632066

IUPAC3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole
SMILESCc1ccc(N2c3ccc(-c4ccccc4)cc3C3=CC(C4=CCCC=C4)=CCC32)cc1
InChIInChI=1S/C31H27N/c1-22-12-16-27(17-13-22)32-30-18-14-25(23-8-4-2-5-9-23)20-28(30)29-21-26(15-19-31(29)32)24-10-6-3-7-11-24/h2,4-6,8-18,20-21,31H,3,7,19H2,1H3
InChIKeyWHGWUKRTJVAJSW-UHFFFAOYSA-N
MW413.56 g/mol
LogP8.17
Rot. Bonds3

About 3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole

3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole (PubChem CID 144632066) has the molecular formula C31H27N and a molecular weight of 413.56 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole
PubChem CID144632066
Molecular FormulaC31H27N
Molecular Weight413.56 g/mol
Exact Mass413.21
IUPAC Name3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole
SMILESCc1ccc(N2c3ccc(-c4ccccc4)cc3C3=CC(C4=CCCC=C4)=CCC32)cc1
InChIInChI=1S/C31H27N/c1-22-12-16-27(17-13-22)32-30-18-14-25(23-8-4-2-5-9-23)20-28(30)29-21-26(15-19-31(29)32)24-10-6-3-7-11-24/h2,4-6,8-18,20-21,31H,3,7,19H2,1H3
InChIKeyWHGWUKRTJVAJSW-UHFFFAOYSA-N
XLogP8.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole
CID 144661384
6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole
CID 167230365
9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole
CID 134407184
9-[4-[2-[4-(7,8-dihydrobenzo[b][1]benzoborol-5-yl)phenyl]ethenyl]cyclohexa-1,5-dien-1-yl]-3,6-diphenyl-1,9a-dihydrocarbazole
CID 90941207
3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole
CID 142505029
7-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6,6a-dihydro-[1]benzothiolo[2,3-b]carbazole
CID 129238882
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole
CID 146280210
9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 167195615
2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
CID 145110266
5-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-3,8-diphenyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole
CID 129109580

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole (CID 144632066) is 3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole is Cc1ccc(N2c3ccc(-c4ccccc4)cc3C3=CC(C4=CCCC=C4)=CCC32)cc1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole?
The InChIKey is WHGWUKRTJVAJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N/c1-22-12-16-27(17-13-22)32-30-18-14-25(23-8-4-2-5-9-23)20-28(30)29-21-26(15-19-31(29)32)24-10-6-3-7-11-24/h2,4-6,8-18,20-21,31H,3,7,19H2,1H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole?
3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole has a molecular weight of 413.56 g/mol, XLogP of 8.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole is sourced from PubChem (CID 144632066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).