3-[9-[4-[2-(4-chlorophenyl)-4-methyl-5-(3-methylidenecyclohexyl)-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole

C68H53ClN2 — CID 142347276

About 3-[9-[4-[2-(4-chlorophenyl)-4-methyl-5-(3-methylidenecyclohexyl)-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole

3-[9-[4-[2-(4-chlorophenyl)-4-methyl-5-(3-methylidenecyclohexyl)-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole (PubChem CID 142347276) has the molecular formula C68H53ClN2 and a molecular weight of 933.64 g/mol. Its IUPAC name is 3-[9-[4-[2-(4-chlorophenyl)-4-methyl-5-(3-methylidenecyclohexyl)-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[4-[2-(4-chlorophenyl)-4-methyl-5-(3-methylidenecyclohexyl)-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole
• PubChem CID: 142347276
• Molecular Formula: C68H53ClN2
• Molecular Weight: 933.64 g/mol
• Exact Mass: 932.39
• IUPAC Name: 3-[9-[4-[2-(4-chlorophenyl)-4-methyl-5-(3-methylidenecyclohexyl)-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole
• SMILES: C=C1CCCC(c2c(C)c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7C6=CCCC=C6)ccc54)cc3)c2-c2ccccc2)C1
• InChI: InChI=1S/C68H53ClN2/c1-44-17-16-22-52(41-44)65-45(2)64(46-18-6-3-7-19-46)67(48-29-35-53(69)36-30-48)68(66(65)47-20-8-4-9-21-47)49-31-37-55(38-32-49)71-61-28-15-13-26-57(61)59-43-51(34-40-63(59)71)50-33-39-62-58(42-50)56-25-12-14-27-60(56)70(62)54-23-10-5-11-24-54/h3-4,6-10,12-15,18-21,23-40,42-43,52H,1,5,11,16-17,22,41H2,2H3
• InChIKey: YSVIXGCLXBKRRG-UHFFFAOYSA-N
• XLogP: 19.59
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.64
LogP ≤ 5	19.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[2-(4-chlorophenyl)-4-methyl-5-(3-methylidenecyclohexyl)-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole?

The IUPAC name of 3-[9-[4-[2-(4-chlorophenyl)-4-methyl-5-(3-methylidenecyclohexyl)-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole (CID 142347276) is 3-[9-[4-[2-(4-chlorophenyl)-4-methyl-5-(3-methylidenecyclohexyl)-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole.

What is the SMILES notation for 3-[9-[4-[2-(4-chlorophenyl)-4-methyl-5-(3-methylidenecyclohexyl)-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole?

The canonical SMILES for 3-[9-[4-[2-(4-chlorophenyl)-4-methyl-5-(3-methylidenecyclohexyl)-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole is C=C1CCCC(c2c(C)c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7C6=CCCC=C6)ccc54)cc3)c2-c2ccccc2)C1.

What is the InChIKey of 3-[9-[4-[2-(4-chlorophenyl)-4-methyl-5-(3-methylidenecyclohexyl)-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole?

The InChIKey is YSVIXGCLXBKRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H53ClN2/c1-44-17-16-22-52(41-44)65-45(2)64(46-18-6-3-7-19-46)67(48-29-35-53(69)36-30-48)68(66(65)47-20-8-4-9-21-47)49-31-37-55(38-32-49)71-61-28-15-13-26-57(61)59-43-51(34-40-63(59)71)50-33-39-62-58(42-50)56-25-12-14-27-60(56)70(62)54-23-10-5-11-24-54/h3-4,6-10,12-15,18-21,23-40,42-43,52H,1,5,11,16-17,22,41H2,2H3.

What are the key properties of 3-[9-[4-[2-(4-chlorophenyl)-4-methyl-5-(3-methylidenecyclohexyl)-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole?

3-[9-[4-[2-(4-chlorophenyl)-4-methyl-5-(3-methylidenecyclohexyl)-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole has a molecular weight of 933.64 g/mol, XLogP of 19.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[4-[2-(4-chlorophenyl)-4-methyl-5-(3-methylidenecyclohexyl)-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole is sourced from PubChem (CID 142347276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).