N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline

C33H29N — CID 89342874

About N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline

N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline (PubChem CID 89342874) has the molecular formula C33H29N and a molecular weight of 439.60 g/mol. Its IUPAC name is N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline
• PubChem CID: 89342874
• Molecular Formula: C33H29N
• Molecular Weight: 439.60 g/mol
• Exact Mass: 439.23
• IUPAC Name: N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline
• SMILES: C/C=C\C(\C=C/c1ccccc1)=C/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C33H29N/c1-2-13-28(22-23-29-14-6-3-7-15-29)16-12-17-30-24-26-33(27-25-30)34(31-18-8-4-9-19-31)32-20-10-5-11-21-32/h2-27H,1H3/b13-2-,17-12+,23-22+,28-16+
• InChIKey: ZXVGBRNZJVOPSK-NEIMHVIXSA-N
• XLogP: 9.39
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.60
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline?

The IUPAC name of N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline (CID 89342874) is N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline.

What is the SMILES notation for N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline?

The canonical SMILES for N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline is C/C=C\C(\C=C/c1ccccc1)=C/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline?

The InChIKey is ZXVGBRNZJVOPSK-NEIMHVIXSA-N. The full InChI is InChI=1S/C33H29N/c1-2-13-28(22-23-29-14-6-3-7-15-29)16-12-17-30-24-26-33(27-25-30)34(31-18-8-4-9-19-31)32-20-10-5-11-21-32/h2-27H,1H3/b13-2-,17-12+,23-22+,28-16+.

What are the key properties of N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline?

N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline has a molecular weight of 439.60 g/mol, XLogP of 9.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline is sourced from PubChem (CID 89342874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).