3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole

C24H19N — CID 129238287

IUPAC3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
SMILESC1=CCC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C=C1
InChIInChI=1S/C24H19N/c1-3-9-18(10-4-1)19-15-16-24-22(17-19)21-13-7-8-14-23(21)25(24)20-11-5-2-6-12-20/h1-9,11-18H,10H2
InChIKeyZZMQTSMATYNFDV-UHFFFAOYSA-N
MW321.42 g/mol
LogP6.38
Rot. Bonds2

About 3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole

3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole (PubChem CID 129238287) has the molecular formula C24H19N and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole.

Molecular Properties

Compound Name3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
PubChem CID129238287
Molecular FormulaC24H19N
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC Name3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
SMILESC1=CCC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C=C1
InChIInChI=1S/C24H19N/c1-3-9-18(10-4-1)19-15-16-24-22(17-19)21-13-7-8-14-23(21)25(24)20-11-5-2-6-12-20/h1-9,11-18H,10H2
InChIKeyZZMQTSMATYNFDV-UHFFFAOYSA-N
XLogP6.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole
CID 123198502
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 149206255
5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 170285798
2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole
CID 174281541
3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole
CID 71176031
3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole
CID 170002276
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
2-cyclohexa-2,4-dien-1-yl-5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123766277

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole?
The IUPAC name of 3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole (CID 129238287) is 3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole.
What is the SMILES notation for 3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole?
The canonical SMILES for 3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole is C1=CCC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C=C1.
What is the InChIKey of 3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole?
The InChIKey is ZZMQTSMATYNFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N/c1-3-9-18(10-4-1)19-15-16-24-22(17-19)21-13-7-8-14-23(21)25(24)20-11-5-2-6-12-20/h1-9,11-18H,10H2.
What are the key properties of 3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole?
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole has a molecular weight of 321.42 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole is sourced from PubChem (CID 129238287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).