9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole

C36H26N2 — CID 129310423

IUPAC9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
SMILESC1=CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)CC=C1n1c2ccccc2c2ccccc21
InChIInChI=1S/C36H26N2/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-19,21-24,26H,20H2
InChIKeyDWVPOKHTJGMMSM-UHFFFAOYSA-N
MW486.62 g/mol
LogP9.48
Rot. Bonds3

About 9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole

9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole (PubChem CID 129310423) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
PubChem CID129310423
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Name9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
SMILESC1=CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)CC=C1n1c2ccccc2c2ccccc21
InChIInChI=1S/C36H26N2/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-19,21-24,26H,20H2
InChIKeyDWVPOKHTJGMMSM-UHFFFAOYSA-N
XLogP9.48
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole
CID 129022406
9-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)carbazole
CID 145272973
9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole
CID 123432152
N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine
CID 126727435
3-[9-[4-[2,6-bis[4-[2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 163626364
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole
CID 145327096
N,9-diphenyl-N-[4-[4-[2-phenyl-2-(9-phenylcarbazol-3-yl)ethyl]cyclohexa-2,4-dien-1-yl]phenyl]carbazol-3-amine
CID 123492493
N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline
CID 143310257
N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
CID 129311507
3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole
CID 123198502
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole (CID 129310423) is 9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole is C1=CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)CC=C1n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
The InChIKey is DWVPOKHTJGMMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-19,21-24,26H,20H2.
What are the key properties of 9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole has a molecular weight of 486.62 g/mol, XLogP of 9.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole is sourced from PubChem (CID 129310423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).