3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole

C32H26N2 — CID 163849948

IUPAC3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole
SMILESCCC1=CCC(n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)C=C1
InChIInChI=1S/C32H26N2/c1-2-21-11-15-24(16-12-21)34-31-10-6-4-8-26(31)28-20-23(14-18-32(28)34)22-13-17-30-27(19-22)25-7-3-5-9-29(25)33-30/h3-15,17-20,24,33H,2,16H2,1H3
InChIKeyOTMRCQPABGVZHI-UHFFFAOYSA-N
MW438.57 g/mol
LogP8.93
Rot. Bonds3

About 3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole

3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole (PubChem CID 163849948) has the molecular formula C32H26N2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole.

Molecular Properties

Compound Name3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole
PubChem CID163849948
Molecular FormulaC32H26N2
Molecular Weight438.57 g/mol
Exact Mass438.21
IUPAC Name3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole
SMILESCCC1=CCC(n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)C=C1
InChIInChI=1S/C32H26N2/c1-2-21-11-15-24(16-12-21)34-31-10-6-4-8-26(31)28-20-23(14-18-32(28)34)22-13-17-30-27(19-22)25-7-3-5-9-29(25)33-30/h3-15,17-20,24,33H,2,16H2,1H3
InChIKeyOTMRCQPABGVZHI-UHFFFAOYSA-N
XLogP8.93
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 58.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole
CID 59306791
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739
3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole
CID 144867954
(Z)-but-2-ene;3-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 145055834
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 139447207
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane
CID 144867981
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole
CID 59307119
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
3-(9H-carbazol-3-yl)-9-[3-(2-methylpropyl)phenyl]carbazole
CID 59306787

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole?
The IUPAC name of 3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole (CID 163849948) is 3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole.
What is the SMILES notation for 3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole?
The canonical SMILES for 3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole is CCC1=CCC(n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)C=C1.
What is the InChIKey of 3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole?
The InChIKey is OTMRCQPABGVZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2/c1-2-21-11-15-24(16-12-21)34-31-10-6-4-8-26(31)28-20-23(14-18-32(28)34)22-13-17-30-27(19-22)25-7-3-5-9-29(25)33-30/h3-15,17-20,24,33H,2,16H2,1H3.
What are the key properties of 3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole?
3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole has a molecular weight of 438.57 g/mol, XLogP of 8.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole is sourced from PubChem (CID 163849948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).