N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine

C60H46N2 — CID 89068089

About N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine

N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine (PubChem CID 89068089) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine
• PubChem CID: 89068089
• Molecular Formula: C60H46N2
• Molecular Weight: 795.04 g/mol
• Exact Mass: 794.37
• IUPAC Name: N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine
• SMILES: Cc1ccccc1N(c1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(N(c5ccccc5C)c5cccc6ccccc56)cc4)cc3)cc2)cc1)c1cccc2ccccc12
• InChI: InChI=1S/C60H46N2/c1-43-13-3-9-21-57(43)61(59-23-11-17-51-15-5-7-19-55(51)59)53-39-35-49(36-40-53)47-31-27-45(28-32-47)25-26-46-29-33-48(34-30-46)50-37-41-54(42-38-50)62(58-22-10-4-14-44(58)2)60-24-12-18-52-16-6-8-20-56(52)60/h3-42H,1-2H3/b26-25+
• InChIKey: ZVDAOUHKYSDKPH-OCEACIFDSA-N
• XLogP: 17.05
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.04
LogP ≤ 5	17.05
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-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine?

The IUPAC name of N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine (CID 89068089) is N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine.

What is the SMILES notation for N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine?

The canonical SMILES for N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine is Cc1ccccc1N(c1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(N(c5ccccc5C)c5cccc6ccccc56)cc4)cc3)cc2)cc1)c1cccc2ccccc12.

What is the InChIKey of N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine?

The InChIKey is ZVDAOUHKYSDKPH-OCEACIFDSA-N. The full InChI is InChI=1S/C60H46N2/c1-43-13-3-9-21-57(43)61(59-23-11-17-51-15-5-7-19-55(51)59)53-39-35-49(36-40-53)47-31-27-45(28-32-47)25-26-46-29-33-48(34-30-46)50-37-41-54(42-38-50)62(58-22-10-4-14-44(58)2)60-24-12-18-52-16-6-8-20-56(52)60/h3-42H,1-2H3/b26-25+.

What are the key properties of N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine?

N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine has a molecular weight of 795.04 g/mol, XLogP of 17.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine is sourced from PubChem (CID 89068089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).