N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine

C58H38N2 — CID 89492126

About N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine

N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine (PubChem CID 89492126) has the molecular formula C58H38N2 and a molecular weight of 762.96 g/mol. Its IUPAC name is N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
• PubChem CID: 89492126
• Molecular Formula: C58H38N2
• Molecular Weight: 762.96 g/mol
• Exact Mass: 762.30
• IUPAC Name: N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
• SMILES: c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C58H38N2/c1-2-15-44(16-3-1)59(56-24-12-14-41-13-4-5-17-47(41)56)45-31-25-40(26-32-45)43-30-36-58-55(38-43)53-22-10-11-23-57(53)60(58)46-33-27-39(28-34-46)42-29-35-52-50-20-7-6-18-48(50)49-19-8-9-21-51(49)54(52)37-42/h1-38H
• InChIKey: RGYGQGFSUHHUOF-UHFFFAOYSA-N
• XLogP: 16.20
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.96
LogP ≤ 5	16.20
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-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine?

The IUPAC name of N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine (CID 89492126) is N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine.

What is the SMILES notation for N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine?

The canonical SMILES for N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc2)c2cccc3ccccc23)cc1.

What is the InChIKey of N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine?

The InChIKey is RGYGQGFSUHHUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2/c1-2-15-44(16-3-1)59(56-24-12-14-41-13-4-5-17-47(41)56)45-31-25-40(26-32-45)43-30-36-58-55(38-43)53-22-10-11-23-57(53)60(58)46-33-27-39(28-34-46)42-29-35-52-50-20-7-6-18-48(50)49-19-8-9-21-51(49)54(52)37-42/h1-38H.

What are the key properties of N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine?

N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine has a molecular weight of 762.96 g/mol, XLogP of 16.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 89492126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).