N-[4-[2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C50H38N2 — CID 76600747

About N-[4-[2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 76600747) has the molecular formula C50H38N2 and a molecular weight of 666.87 g/mol. Its IUPAC name is N-[4-[2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
• PubChem CID: 76600747
• Molecular Formula: C50H38N2
• Molecular Weight: 666.87 g/mol
• Exact Mass: 666.30
• IUPAC Name: N-[4-[2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccc4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc4c3)cc2)cc1
• InChI: InChI=1S/C50H38N2/c1-35-11-25-43(26-12-35)51(44-27-13-36(2)14-28-44)45-29-18-37(19-30-45)15-16-38-17-20-42-34-41(22-21-40(42)33-38)39-23-31-46(32-24-39)52-49-9-5-3-7-47(49)48-8-4-6-10-50(48)52/h3-34H,1-2H3
• InChIKey: KJOIQQSKRUJLBG-UHFFFAOYSA-N
• XLogP: 13.86
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.87
LogP ≤ 5	13.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 76600747) is N-[4-[2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

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

The canonical SMILES for N-[4-[2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccc4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc4c3)cc2)cc1.

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

The InChIKey is KJOIQQSKRUJLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N2/c1-35-11-25-43(26-12-35)51(44-27-13-36(2)14-28-44)45-29-18-37(19-30-45)15-16-38-17-20-42-34-41(22-21-40(42)33-38)39-23-31-46(32-24-39)52-49-9-5-3-7-47(49)48-8-4-6-10-50(48)52/h3-34H,1-2H3.

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

N-[4-[2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 666.87 g/mol, XLogP of 13.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 76600747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).