N-[4-[9-[3-(2,5-dihexyl-4-methylphenyl)-5-methylphenyl]carbazol-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C71H70N2 — CID 155648251

About N-[4-[9-[3-(2,5-dihexyl-4-methylphenyl)-5-methylphenyl]carbazol-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[9-[3-(2,5-dihexyl-4-methylphenyl)-5-methylphenyl]carbazol-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155648251) has the molecular formula C71H70N2 and a molecular weight of 951.35 g/mol. Its IUPAC name is N-[4-[9-[3-(2,5-dihexyl-4-methylphenyl)-5-methylphenyl]carbazol-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[9-[3-(2,5-dihexyl-4-methylphenyl)-5-methylphenyl]carbazol-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 155648251
• Molecular Formula: C71H70N2
• Molecular Weight: 951.35 g/mol
• Exact Mass: 950.55
• IUPAC Name: N-[4-[9-[3-(2,5-dihexyl-4-methylphenyl)-5-methylphenyl]carbazol-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CCCCCCc1cc(-c2cc(C)cc(-n3c4ccccc4c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc43)c2)c(CCCCCC)cc1C
• InChI: InChI=1S/C71H70N2/c1-7-9-11-14-24-54-46-66(56(44-50(54)4)25-15-12-10-8-2)57-42-49(3)43-61(45-57)73-69-29-21-19-27-64(69)65-40-34-55(47-70(65)73)53-32-37-59(38-33-53)72(58-35-30-52(31-36-58)51-22-16-13-17-23-51)60-39-41-63-62-26-18-20-28-67(62)71(5,6)68(63)48-60/h13,16-23,26-48H,7-12,14-15,24-25H2,1-6H3
• InChIKey: OGZNLDQCGNNKRO-UHFFFAOYSA-N
• XLogP: 20.42
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 17
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.35
LogP ≤ 5	20.42
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-[9-[3-(2,5-dihexyl-4-methylphenyl)-5-methylphenyl]carbazol-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[9-[3-(2,5-dihexyl-4-methylphenyl)-5-methylphenyl]carbazol-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 155648251) is N-[4-[9-[3-(2,5-dihexyl-4-methylphenyl)-5-methylphenyl]carbazol-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-[9-[3-(2,5-dihexyl-4-methylphenyl)-5-methylphenyl]carbazol-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-[9-[3-(2,5-dihexyl-4-methylphenyl)-5-methylphenyl]carbazol-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CCCCCCc1cc(-c2cc(C)cc(-n3c4ccccc4c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc43)c2)c(CCCCCC)cc1C.

What is the InChIKey of N-[4-[9-[3-(2,5-dihexyl-4-methylphenyl)-5-methylphenyl]carbazol-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is OGZNLDQCGNNKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H70N2/c1-7-9-11-14-24-54-46-66(56(44-50(54)4)25-15-12-10-8-2)57-42-49(3)43-61(45-57)73-69-29-21-19-27-64(69)65-40-34-55(47-70(65)73)53-32-37-59(38-33-53)72(58-35-30-52(31-36-58)51-22-16-13-17-23-51)60-39-41-63-62-26-18-20-28-67(62)71(5,6)68(63)48-60/h13,16-23,26-48H,7-12,14-15,24-25H2,1-6H3.

What are the key properties of N-[4-[9-[3-(2,5-dihexyl-4-methylphenyl)-5-methylphenyl]carbazol-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

N-[4-[9-[3-(2,5-dihexyl-4-methylphenyl)-5-methylphenyl]carbazol-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 951.35 g/mol, XLogP of 20.42, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9-[3-(2,5-dihexyl-4-methylphenyl)-5-methylphenyl]carbazol-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155648251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).