N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline

C64H44N2 — CID 167322263

About N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline (PubChem CID 167322263) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline.

Molecular Properties

• Compound Name: N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
• PubChem CID: 167322263
• Molecular Formula: C64H44N2
• Molecular Weight: 841.07 g/mol
• Exact Mass: 840.35
• IUPAC Name: N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
• SMILES: c1ccc(-c2ccccc2N(c2ccc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3ccccc3-c3ccc4ccccc4c3)cc2)cc1
• InChI: InChI=1S/C64H44N2/c1-2-17-48(18-3-1)57-22-8-12-26-61(57)65(54-42-38-49(39-43-54)55-20-6-7-21-56(55)52-35-32-45-16-4-5-19-51(45)44-52)53-40-36-47(37-41-53)46-30-33-50(34-31-46)58-23-9-13-27-62(58)66-63-28-14-10-24-59(63)60-25-11-15-29-64(60)66/h1-44H
• InChIKey: NPOPTBMODXRLFE-UHFFFAOYSA-N
• XLogP: 17.74
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.07
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline?

The IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline (CID 167322263) is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline.

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

The canonical SMILES for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline is c1ccc(-c2ccccc2N(c2ccc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3ccccc3-c3ccc4ccccc4c3)cc2)cc1.

What is the InChIKey of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline?

The InChIKey is NPOPTBMODXRLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-2-17-48(18-3-1)57-22-8-12-26-61(57)65(54-42-38-49(39-43-54)55-20-6-7-21-56(55)52-35-32-45-16-4-5-19-51(45)44-52)53-40-36-47(37-41-53)46-30-33-50(34-31-46)58-23-9-13-27-62(58)66-63-28-14-10-24-59(63)60-25-11-15-29-64(60)66/h1-44H.

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

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline has a molecular weight of 841.07 g/mol, XLogP of 17.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline is sourced from PubChem (CID 167322263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).