9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole

C25H21N — CID 118534055

IUPAC9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole
SMILESCC1=CC=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)CC1
InChIInChI=1S/C25H21N/c1-18-10-12-19(13-11-18)20-14-16-21(17-15-20)26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26/h2-10,12,14-17H,11,13H2,1H3
InChIKeyBGTPYMAHPZEUBT-UHFFFAOYSA-N
MW335.45 g/mol
LogP6.91
Rot. Bonds2

About 9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole

9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole (PubChem CID 118534055) has the molecular formula C25H21N and a molecular weight of 335.45 g/mol. Its IUPAC name is 9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole
PubChem CID118534055
Molecular FormulaC25H21N
Molecular Weight335.45 g/mol
Exact Mass335.17
IUPAC Name9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole
SMILESCC1=CC=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)CC1
InChIInChI=1S/C25H21N/c1-18-10-12-19(13-11-18)20-14-16-21(17-15-20)26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26/h2-10,12,14-17H,11,13H2,1H3
InChIKeyBGTPYMAHPZEUBT-UHFFFAOYSA-N
XLogP6.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 143126318
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane
CID 145025100
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole (CID 118534055) is 9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole is CC1=CC=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)CC1.
What is the InChIKey of 9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole?
The InChIKey is BGTPYMAHPZEUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N/c1-18-10-12-19(13-11-18)20-14-16-21(17-15-20)26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26/h2-10,12,14-17H,11,13H2,1H3.
What are the key properties of 9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole?
9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole has a molecular weight of 335.45 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole is sourced from PubChem (CID 118534055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).