4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline

C60H48N2O2 — CID 163788418

About 4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline

4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline (PubChem CID 163788418) has the molecular formula C60H48N2O2 and a molecular weight of 829.06 g/mol. Its IUPAC name is 4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline.

Molecular Properties

• Compound Name: 4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
• PubChem CID: 163788418
• Molecular Formula: C60H48N2O2
• Molecular Weight: 829.06 g/mol
• Exact Mass: 828.37
• IUPAC Name: 4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
• SMILES: COc1ccc(/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(/C(=C\c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(OC)cc3)cc2)cc1
• InChI: InChI=1S/C60H48N2O2/c1-63-57-39-31-49(32-40-57)59(43-45-23-35-55(36-24-45)61(51-15-7-3-8-16-51)52-17-9-4-10-18-52)47-27-29-48(30-28-47)60(50-33-41-58(64-2)42-34-50)44-46-25-37-56(38-26-46)62(53-19-11-5-12-20-53)54-21-13-6-14-22-54/h3-44H,1-2H3/b59-43-,60-44+
• InChIKey: MUOJHDXMHIAKQT-ZIWRJYSASA-N
• XLogP: 15.82
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.06
LogP ≤ 5	15.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline?

The IUPAC name of 4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline (CID 163788418) is 4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline.

What is the SMILES notation for 4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline?

The canonical SMILES for 4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline is COc1ccc(/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(/C(=C\c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(OC)cc3)cc2)cc1.

What is the InChIKey of 4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline?

The InChIKey is MUOJHDXMHIAKQT-ZIWRJYSASA-N. The full InChI is InChI=1S/C60H48N2O2/c1-63-57-39-31-49(32-40-57)59(43-45-23-35-55(36-24-45)61(51-15-7-3-8-16-51)52-17-9-4-10-18-52)47-27-29-48(30-28-47)60(50-33-41-58(64-2)42-34-50)44-46-25-37-56(38-26-46)62(53-19-11-5-12-20-53)54-21-13-6-14-22-54/h3-44H,1-2H3/b59-43-,60-44+.

What are the key properties of 4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline?

4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline has a molecular weight of 829.06 g/mol, XLogP of 15.82, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 163788418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).