6-[4-(N-phenylanilino)phenyl]-N-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine

C76H51N3 — CID 89492082

About 6-[4-(N-phenylanilino)phenyl]-N-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine

6-[4-(N-phenylanilino)phenyl]-N-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine (PubChem CID 89492082) has the molecular formula C76H51N3 and a molecular weight of 1006.27 g/mol. Its IUPAC name is 6-[4-(N-phenylanilino)phenyl]-N-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine.

Molecular Properties

• Compound Name: 6-[4-(N-phenylanilino)phenyl]-N-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine
• PubChem CID: 89492082
• Molecular Formula: C76H51N3
• Molecular Weight: 1006.27 g/mol
• Exact Mass: 1005.41
• IUPAC Name: 6-[4-(N-phenylanilino)phenyl]-N-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C76H51N3/c1-5-19-52(20-6-1)53-33-40-60(41-34-53)78(74-48-45-63(55-21-7-2-8-22-55)64-27-17-18-32-70(64)74)61-43-47-76-73(51-61)72-49-56(54-35-38-59(39-36-54)77(57-23-9-3-10-24-57)58-25-11-4-12-26-58)37-46-75(72)79(76)62-42-44-69-67-30-14-13-28-65(67)66-29-15-16-31-68(66)71(69)50-62/h1-51H
• InChIKey: FLOUOYWOQQLLNT-UHFFFAOYSA-N
• XLogP: 21.34
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1006.27
LogP ≤ 5	21.34
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-phenylanilino)phenyl]-N-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine?

The IUPAC name of 6-[4-(N-phenylanilino)phenyl]-N-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine (CID 89492082) is 6-[4-(N-phenylanilino)phenyl]-N-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine.

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

The canonical SMILES for 6-[4-(N-phenylanilino)phenyl]-N-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1.

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

The InChIKey is FLOUOYWOQQLLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H51N3/c1-5-19-52(20-6-1)53-33-40-60(41-34-53)78(74-48-45-63(55-21-7-2-8-22-55)64-27-17-18-32-70(64)74)61-43-47-76-73(51-61)72-49-56(54-35-38-59(39-36-54)77(57-23-9-3-10-24-57)58-25-11-4-12-26-58)37-46-75(72)79(76)62-42-44-69-67-30-14-13-28-65(67)66-29-15-16-31-68(66)71(69)50-62/h1-51H.

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

6-[4-(N-phenylanilino)phenyl]-N-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine has a molecular weight of 1006.27 g/mol, XLogP of 21.34, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(N-phenylanilino)phenyl]-N-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine is sourced from PubChem (CID 89492082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).