N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine

C66H44N2 — CID 170271950

About N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine

N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine (PubChem CID 170271950) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine
• PubChem CID: 170271950
• Molecular Formula: C66H44N2
• Molecular Weight: 865.09 g/mol
• Exact Mass: 864.35
• IUPAC Name: N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine
• SMILES: c1ccc(-c2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5ccccc5)c5ccccc45)cc3)cccc2-n2c3ccccc3c3cc4ccccc4cc32)cc1
• InChI: InChI=1S/C66H44N2/c1-3-17-45(18-4-1)56-41-42-63(59-27-12-11-26-58(56)59)67(52-37-33-47(34-38-52)55-29-15-24-46-19-9-10-25-54(46)55)53-39-35-48(36-40-53)57-30-16-32-64(66(57)49-20-5-2-6-21-49)68-62-31-14-13-28-60(62)61-43-50-22-7-8-23-51(50)44-65(61)68/h1-44H
• InChIKey: WOSCCLLECJPHAB-UHFFFAOYSA-N
• XLogP: 18.38
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.09
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine?

The IUPAC name of N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine (CID 170271950) is N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine.

What is the SMILES notation for N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine?

The canonical SMILES for N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine is c1ccc(-c2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5ccccc5)c5ccccc45)cc3)cccc2-n2c3ccccc3c3cc4ccccc4cc32)cc1.

What is the InChIKey of N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine?

The InChIKey is WOSCCLLECJPHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-3-17-45(18-4-1)56-41-42-63(59-27-12-11-26-58(56)59)67(52-37-33-47(34-38-52)55-29-15-24-46-19-9-10-25-54(46)55)53-39-35-48(36-40-53)57-30-16-32-64(66(57)49-20-5-2-6-21-49)68-62-31-14-13-28-60(62)61-43-50-22-7-8-23-51(50)44-65(61)68/h1-44H.

What are the key properties of N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine?

N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine has a molecular weight of 865.09 g/mol, XLogP of 18.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine is sourced from PubChem (CID 170271950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).