N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline

C58H40N2 — CID 146580367

About N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline

N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline (PubChem CID 146580367) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline
• PubChem CID: 146580367
• Molecular Formula: C58H40N2
• Molecular Weight: 764.97 g/mol
• Exact Mass: 764.32
• IUPAC Name: N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6cc(-c7ccccc7)ccc6c5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C58H40N2/c1-3-11-41(12-4-1)43-19-21-44(22-20-43)45-27-31-51(32-28-45)59(53-35-37-54(38-36-53)60-57-17-9-7-15-55(57)56-16-8-10-18-58(56)60)52-33-29-46(30-34-52)48-24-26-49-39-47(23-25-50(49)40-48)42-13-5-2-6-14-42/h1-40H
• InChIKey: YRAHFQOKHWGXSI-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.97
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline?

The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline (CID 146580367) is N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline.

What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline?

The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6cc(-c7ccccc7)ccc6c5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.

What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline?

The InChIKey is YRAHFQOKHWGXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-3-11-41(12-4-1)43-19-21-44(22-20-43)45-27-31-51(32-28-45)59(53-35-37-54(38-36-53)60-57-17-9-7-15-55(57)56-16-8-10-18-58(56)60)52-33-29-46(30-34-52)48-24-26-49-39-47(23-25-50(49)40-48)42-13-5-2-6-14-42/h1-40H.

What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline?

N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline has a molecular weight of 764.97 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 146580367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).