N-(3-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline

C64H44N2 — CID 172501542

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

N-(3-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline (PubChem CID 172501542) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: N-(3-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
• PubChem CID: 172501542
• Molecular Formula: C64H44N2
• Molecular Weight: 841.07 g/mol
• Exact Mass: 840.35
• IUPAC Name: N-(3-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
• SMILES: c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
• InChI: InChI=1S/C64H44N2/c1-3-21-46(22-4-1)54-30-9-10-31-56(54)57-32-11-12-33-58(57)59-34-13-15-37-61(59)65(52-28-17-24-48(43-52)49-41-40-45-20-7-8-23-47(45)42-49)53-29-18-25-50(44-53)55-36-19-39-63-64(55)60-35-14-16-38-62(60)66(63)51-26-5-2-6-27-51/h1-44H
• InChIKey: XWTZKQAGYPCQJH-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-(3-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?

The IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline (CID 172501542) is N-(3-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline.

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

The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1.

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

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

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

N-(3-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline 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-(3-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172501542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).