N-[4-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine

C70H50N2 — CID 58715856

About N-[4-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine

N-[4-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine (PubChem CID 58715856) has the molecular formula C70H50N2 and a molecular weight of 919.18 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
• PubChem CID: 58715856
• Molecular Formula: C70H50N2
• Molecular Weight: 919.18 g/mol
• Exact Mass: 918.40
• IUPAC Name: N-[4-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
• SMILES: c1ccc(/C(=C(/c2ccccc2)c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccccc4c3)cc2)c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccccc4c3)cc2)cc1
• InChI: InChI=1S/C70H50N2/c1-5-19-51(20-6-1)61-31-17-33-65(47-61)71(67-45-35-53-23-13-15-29-59(53)49-67)63-41-37-57(38-42-63)69(55-25-9-3-10-26-55)70(56-27-11-4-12-28-56)58-39-43-64(44-40-58)72(68-46-36-54-24-14-16-30-60(54)50-68)66-34-18-32-62(48-66)52-21-7-2-8-22-52/h1-50H/b70-69+
• InChIKey: XSGUIQUHYFNPFA-QNRHEQFBSA-N
• XLogP: 19.27
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.18
LogP ≤ 5	19.27
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-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine?

The IUPAC name of N-[4-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine (CID 58715856) is N-[4-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine.

What is the SMILES notation for N-[4-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine?

The canonical SMILES for N-[4-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine is c1ccc(/C(=C(/c2ccccc2)c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccccc4c3)cc2)c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccccc4c3)cc2)cc1.

What is the InChIKey of N-[4-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine?

The InChIKey is XSGUIQUHYFNPFA-QNRHEQFBSA-N. The full InChI is InChI=1S/C70H50N2/c1-5-19-51(20-6-1)61-31-17-33-65(47-61)71(67-45-35-53-23-13-15-29-59(53)49-67)63-41-37-57(38-42-63)69(55-25-9-3-10-26-55)70(56-27-11-4-12-28-56)58-39-43-64(44-40-58)72(68-46-36-54-24-14-16-30-60(54)50-68)66-34-18-32-62(48-66)52-21-7-2-8-22-52/h1-50H/b70-69+.

What are the key properties of N-[4-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine?

N-[4-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine has a molecular weight of 919.18 g/mol, XLogP of 19.27, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 58715856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).