N-[4-[4-[2-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine

C84H64N2 — CID 121323060

About N-[4-[4-[2-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine

N-[4-[4-[2-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine (PubChem CID 121323060) has the molecular formula C84H64N2 and a molecular weight of 1101.45 g/mol. Its IUPAC name is N-[4-[4-[2-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine.

Molecular Properties

• Compound Name: N-[4-[4-[2-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
• PubChem CID: 121323060
• Molecular Formula: C84H64N2
• Molecular Weight: 1101.45 g/mol
• Exact Mass: 1100.51
• IUPAC Name: N-[4-[4-[2-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
• SMILES: Cc1cc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc4ccccc4c4ccccc34)c(C)c2)ccc1N(c1ccccc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cc2ccccc2c2ccccc12
• InChI: InChI=1S/C84H64N2/c1-53-47-55(41-45-77(53)85(81-51-57-23-7-9-25-61(57)65-29-11-13-33-71(65)81)79-37-21-17-27-63(79)59-39-43-69-67-31-15-19-35-73(67)83(3,4)75(69)49-59)56-42-46-78(54(2)48-56)86(82-52-58-24-8-10-26-62(58)66-30-12-14-34-72(66)82)80-38-22-18-28-64(80)60-40-44-70-68-32-16-20-36-74(68)84(5,6)76(70)50-60/h7-52H,1-6H3
• InChIKey: KJYIZGOEIVRSDX-UHFFFAOYSA-N
• XLogP: 23.47
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1101.45
LogP ≤ 5	23.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine?

The IUPAC name of N-[4-[4-[2-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine (CID 121323060) is N-[4-[4-[2-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine.

What is the SMILES notation for N-[4-[4-[2-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine?

The canonical SMILES for N-[4-[4-[2-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine is Cc1cc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc4ccccc4c4ccccc34)c(C)c2)ccc1N(c1ccccc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cc2ccccc2c2ccccc12.

What is the InChIKey of N-[4-[4-[2-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine?

The InChIKey is KJYIZGOEIVRSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H64N2/c1-53-47-55(41-45-77(53)85(81-51-57-23-7-9-25-61(57)65-29-11-13-33-71(65)81)79-37-21-17-27-63(79)59-39-43-69-67-31-15-19-35-73(67)83(3,4)75(69)49-59)56-42-46-78(54(2)48-56)86(82-52-58-24-8-10-26-62(58)66-30-12-14-34-72(66)82)80-38-22-18-28-64(80)60-40-44-70-68-32-16-20-36-74(68)84(5,6)76(70)50-60/h7-52H,1-6H3.

What are the key properties of N-[4-[4-[2-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine?

N-[4-[4-[2-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine has a molecular weight of 1101.45 g/mol, XLogP of 23.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[2-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 121323060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).