4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine

C66H49N3 — CID 22983512

About 4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine

4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine (PubChem CID 22983512) has the molecular formula C66H49N3 and a molecular weight of 884.14 g/mol. Its IUPAC name is 4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine.

Molecular Properties

• Compound Name: 4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
• PubChem CID: 22983512
• Molecular Formula: C66H49N3
• Molecular Weight: 884.14 g/mol
• Exact Mass: 883.39
• IUPAC Name: 4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
• SMILES: C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc12
• InChI: InChI=1S/C66H49N3/c1-7-21-50(22-8-1)66(51-23-9-2-10-24-51)49-53-37-48-64(65-34-20-19-33-63(53)65)52-35-38-58(39-36-52)69(61-44-40-59(41-45-61)67(54-25-11-3-12-26-54)55-27-13-4-14-28-55)62-46-42-60(43-47-62)68(56-29-15-5-16-30-56)57-31-17-6-18-32-57/h1-49H
• InChIKey: SVEQXNAOQRWZLA-UHFFFAOYSA-N
• XLogP: 18.51
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.14
LogP ≤ 5	18.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?

The IUPAC name of 4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine (CID 22983512) is 4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine.

What is the SMILES notation for 4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?

The canonical SMILES for 4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine is C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc12.

What is the InChIKey of 4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?

The InChIKey is SVEQXNAOQRWZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49N3/c1-7-21-50(22-8-1)66(51-23-9-2-10-24-51)49-53-37-48-64(65-34-20-19-33-63(53)65)52-35-38-58(39-36-52)69(61-44-40-59(41-45-61)67(54-25-11-3-12-26-54)55-27-13-4-14-28-55)62-46-42-60(43-47-62)68(56-29-15-5-16-30-56)57-31-17-6-18-32-57/h1-49H.

What are the key properties of 4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?

4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine has a molecular weight of 884.14 g/mol, XLogP of 18.51, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 22983512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).