N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline

C62H42N2 — CID 146580365

About N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline

N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline (PubChem CID 146580365) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline.

Molecular Properties

• Compound Name: N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
• PubChem CID: 146580365
• Molecular Formula: C62H42N2
• Molecular Weight: 815.03 g/mol
• Exact Mass: 814.33
• IUPAC Name: N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
• SMILES: c1ccc(-c2ccc3cc(-c4ccc(N(c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)ccc3c2)cc1
• InChI: InChI=1S/C62H42N2/c1-2-11-43(12-3-1)49-25-27-52-42-50(26-28-51(52)41-49)46-31-35-54(36-32-46)63(55-37-39-56(40-38-55)64-61-19-8-6-16-59(61)60-17-7-9-20-62(60)64)53-33-29-45(30-34-53)44-21-23-48(24-22-44)58-18-10-14-47-13-4-5-15-57(47)58/h1-42H
• InChIKey: WDHWYZHUGJDPAC-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.03
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline?

The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline (CID 146580365) is N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline.

What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline?

The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline is c1ccc(-c2ccc3cc(-c4ccc(N(c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)ccc3c2)cc1.

What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline?

The InChIKey is WDHWYZHUGJDPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-2-11-43(12-3-1)49-25-27-52-42-50(26-28-51(52)41-49)46-31-35-54(36-32-46)63(55-37-39-56(40-38-55)64-61-19-8-6-16-59(61)60-17-7-9-20-62(60)64)53-33-29-45(30-34-53)44-21-23-48(24-22-44)58-18-10-14-47-13-4-5-15-57(47)58/h1-42H.

What are the key properties of N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline?

N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline has a molecular weight of 815.03 g/mol, XLogP of 17.23, 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)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline is sourced from PubChem (CID 146580365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).