N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine

C75H68N2 — CID 155472223

About N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine

N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 155472223) has the molecular formula C75H68N2 and a molecular weight of 997.38 g/mol. Its IUPAC name is N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
• PubChem CID: 155472223
• Molecular Formula: C75H68N2
• Molecular Weight: 997.38 g/mol
• Exact Mass: 996.54
• IUPAC Name: N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
• SMILES: CCCCCCc1ccc2c(c1)c1cc(C3CCCCC3)ccc1n2-c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C75H68N2/c1-4-5-6-10-19-52-28-45-73-68(48-52)69-50-61(54-22-13-8-14-23-54)38-47-74(69)77(73)63-41-35-58(36-42-63)56-31-29-55(30-32-56)57-33-39-62(40-34-57)76(64-43-44-66-65-26-17-18-27-70(65)75(2,3)71(66)51-64)72-46-37-60(53-20-11-7-12-21-53)49-67(72)59-24-15-9-16-25-59/h7,9,11-12,15-18,20-21,24-51,54H,4-6,8,10,13-14,19,22-23H2,1-3H3
• InChIKey: VMOOVIYYXMBHDC-UHFFFAOYSA-N
• XLogP: 21.40
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.38
LogP ≤ 5	21.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine?

The IUPAC name of N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine (CID 155472223) is N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine?

The canonical SMILES for N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine is CCCCCCc1ccc2c(c1)c1cc(C3CCCCC3)ccc1n2-c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine?

The InChIKey is VMOOVIYYXMBHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H68N2/c1-4-5-6-10-19-52-28-45-73-68(48-52)69-50-61(54-22-13-8-14-23-54)38-47-74(69)77(73)63-41-35-58(36-42-63)56-31-29-55(30-32-56)57-33-39-62(40-34-57)76(64-43-44-66-65-26-17-18-27-70(65)75(2,3)71(66)51-64)72-46-37-60(53-20-11-7-12-21-53)49-67(72)59-24-15-9-16-25-59/h7,9,11-12,15-18,20-21,24-51,54H,4-6,8,10,13-14,19,22-23H2,1-3H3.

What are the key properties of N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine?

N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 997.38 g/mol, XLogP of 21.40, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 155472223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).