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

C62H42N2 — CID 167322387

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

N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 167322387) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
• PubChem CID: 167322387
• Molecular Formula: C62H42N2
• Molecular Weight: 815.03 g/mol
• Exact Mass: 814.33
• IUPAC Name: N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
• SMILES: c1cc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3cccc4ccccc34)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C62H42N2/c1-2-17-47-41-49(32-31-43(47)15-1)45-35-39-52(40-36-45)63(60-28-10-6-23-56(60)55-26-14-18-46-16-3-4-21-53(46)55)51-37-33-44(34-38-51)48-19-13-20-50(42-48)54-22-5-9-27-59(54)64-61-29-11-7-24-57(61)58-25-8-12-30-62(58)64/h1-42H
• InChIKey: HQORKEHKFHNJBK-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-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)aniline?

The IUPAC name of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)aniline (CID 167322387) is N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)aniline.

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

The canonical SMILES for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)aniline is c1cc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3cccc4ccccc34)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.

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

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

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

N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)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-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 167322387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).