9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole

C36H27N — CID 129022406

IUPAC9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole
SMILESC1=CC(c2ccccc2)CC=C1n1c2ccccc2c2cc(-c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C36H27N/c1-3-9-26(10-4-1)28-15-17-30(18-16-28)31-21-24-36-34(25-31)33-13-7-8-14-35(33)37(36)32-22-19-29(20-23-32)27-11-5-2-6-12-27/h1-19,21-25,29H,20H2
InChIKeyGIERIERMZCJFEQ-UHFFFAOYSA-N
MW473.62 g/mol
LogP9.71
Rot. Bonds4

About 9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole

9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole (PubChem CID 129022406) has the molecular formula C36H27N and a molecular weight of 473.62 g/mol. Its IUPAC name is 9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole
PubChem CID129022406
Molecular FormulaC36H27N
Molecular Weight473.62 g/mol
Exact Mass473.21
IUPAC Name9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole
SMILESC1=CC(c2ccccc2)CC=C1n1c2ccccc2c2cc(-c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C36H27N/c1-3-9-26(10-4-1)28-15-17-30(18-16-28)31-21-24-36-34(25-31)33-13-7-8-14-35(33)37(36)32-22-19-29(20-23-32)27-11-5-2-6-12-27/h1-19,21-25,29H,20H2
InChIKeyGIERIERMZCJFEQ-UHFFFAOYSA-N
XLogP9.71
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 129310423
12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 139539060
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)phenyl]-6-phenylcarbazole
CID 167403511
3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
N,N,9-triphenyl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-2-amine
CID 130241442
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
9-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)carbazole
CID 145272973
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129298687
N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline
CID 166723421
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
N-cyclohexa-1,3-dien-5-yn-1-yl-N-(4-naphthalen-2-ylphenyl)-11-(4-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-2-amine
CID 174266586

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole?
The IUPAC name of 9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole (CID 129022406) is 9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole.
What is the SMILES notation for 9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole?
The canonical SMILES for 9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole is C1=CC(c2ccccc2)CC=C1n1c2ccccc2c2cc(-c3ccc(-c4ccccc4)cc3)ccc21.
What is the InChIKey of 9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole?
The InChIKey is GIERIERMZCJFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N/c1-3-9-26(10-4-1)28-15-17-30(18-16-28)31-21-24-36-34(25-31)33-13-7-8-14-35(33)37(36)32-22-19-29(20-23-32)27-11-5-2-6-12-27/h1-19,21-25,29H,20H2.
What are the key properties of 9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole?
9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole has a molecular weight of 473.62 g/mol, XLogP of 9.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole is sourced from PubChem (CID 129022406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).