9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole

C36H35N — CID 129022093

IUPAC9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole
SMILESC1=CCCC(c2ccc(-n3c4ccccc4c4cc(C5=CC=C(C6CCCCC6)CC5)ccc43)cc2)=C1
InChIInChI=1S/C36H35N/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/h2,5,7-8,11,13-15,17,19-26H,1,3-4,6,9-10,12,16,18H2
InChIKeyHPMLXWAIMDYFJB-UHFFFAOYSA-N
MW481.68 g/mol
LogP10.20
Rot. Bonds4

About 9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole

9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole (PubChem CID 129022093) has the molecular formula C36H35N and a molecular weight of 481.68 g/mol. Its IUPAC name is 9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole.

Molecular Properties

Compound Name9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole
PubChem CID129022093
Molecular FormulaC36H35N
Molecular Weight481.68 g/mol
Exact Mass481.28
IUPAC Name9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole
SMILESC1=CCCC(c2ccc(-n3c4ccccc4c4cc(C5=CC=C(C6CCCCC6)CC5)ccc43)cc2)=C1
InChIInChI=1S/C36H35N/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/h2,5,7-8,11,13-15,17,19-26H,1,3-4,6,9-10,12,16,18H2
InChIKeyHPMLXWAIMDYFJB-UHFFFAOYSA-N
XLogP10.20
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 168762802
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole
CID 118534055
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]carbazole
CID 145077522
N-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine
CID 170003265
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
3-cyclohexa-1,3-dien-1-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole
CID 134447534
3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236515
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole
CID 170375447
3-[9-(2,3,4,4a,5,6-hexahydronaphthalen-1-yl)carbazol-3-yl]-9-(2-cyclohexa-1,3-dien-1-yl-4-phenyl-3,4-dihydropyridin-6-yl)carbazole
CID 146564371
9-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-3-(9-naphthalen-1-yl-1,9a-dihydrocarbazol-3-yl)carbazole
CID 170143175

Frequently Asked Questions

What is the IUPAC name of 9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole?
The IUPAC name of 9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole (CID 129022093) is 9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole.
What is the SMILES notation for 9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole?
The canonical SMILES for 9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole is C1=CCCC(c2ccc(-n3c4ccccc4c4cc(C5=CC=C(C6CCCCC6)CC5)ccc43)cc2)=C1.
What is the InChIKey of 9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole?
The InChIKey is HPMLXWAIMDYFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N/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/h2,5,7-8,11,13-15,17,19-26H,1,3-4,6,9-10,12,16,18H2.
What are the key properties of 9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole?
9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole has a molecular weight of 481.68 g/mol, XLogP of 10.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole is sourced from PubChem (CID 129022093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).