6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine

C70H47N3 — CID 89492179

About 6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine

6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine (PubChem CID 89492179) has the molecular formula C70H47N3 and a molecular weight of 930.17 g/mol. Its IUPAC name is 6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine.

Molecular Properties

• Compound Name: 6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine
• PubChem CID: 89492179
• Molecular Formula: C70H47N3
• Molecular Weight: 930.17 g/mol
• Exact Mass: 929.38
• IUPAC Name: 6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
• InChI: InChI=1S/C70H47N3/c1-4-17-48(18-5-1)49-31-36-55(37-32-49)71(53-21-6-2-7-22-53)57-41-44-70-67(47-57)66-45-52(50-33-38-56(39-34-50)72(54-23-8-3-9-24-54)68-30-16-20-51-19-10-11-25-59(51)68)35-43-69(66)73(70)58-40-42-64-62-28-13-12-26-60(62)61-27-14-15-29-63(61)65(64)46-58/h1-47H
• InChIKey: GTEKTUQWRQFIRS-UHFFFAOYSA-N
• XLogP: 19.67
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.17
LogP ≤ 5	19.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine?

The IUPAC name of 6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine (CID 89492179) is 6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine.

What is the SMILES notation for 6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine?

The canonical SMILES for 6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.

What is the InChIKey of 6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine?

The InChIKey is GTEKTUQWRQFIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N3/c1-4-17-48(18-5-1)49-31-36-55(37-32-49)71(53-21-6-2-7-22-53)57-41-44-70-67(47-57)66-45-52(50-33-38-56(39-34-50)72(54-23-8-3-9-24-54)68-30-16-20-51-19-10-11-25-59(51)68)35-43-69(66)73(70)58-40-42-64-62-28-13-12-26-60(62)61-27-14-15-29-63(61)65(64)46-58/h1-47H.

What are the key properties of 6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine?

6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine has a molecular weight of 930.17 g/mol, XLogP of 19.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine is sourced from PubChem (CID 89492179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).