N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline

C36H33N — CID 134194236

About N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline

N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline (PubChem CID 134194236) has the molecular formula C36H33N and a molecular weight of 479.67 g/mol. Its IUPAC name is N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline.

Molecular Properties

• Compound Name: N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
• PubChem CID: 134194236
• Molecular Formula: C36H33N
• Molecular Weight: 479.67 g/mol
• Exact Mass: 479.26
• IUPAC Name: N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
• SMILES: C/C=C\C=C(/C)N(C1=CCC(c2ccccc2)C=C1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1
• InChI: InChI=1S/C36H33N/c1-3-4-14-28(2)37(33-23-21-30(22-24-33)29-15-8-5-9-16-29)34-25-26-35(31-17-10-6-11-18-31)36(27-34)32-19-12-7-13-20-32/h3-21,23-27,30H,22H2,1-2H3/b4-3-,28-14+
• InChIKey: NSFZPGFHMLWWDX-HAZHYNCLSA-N
• XLogP: 9.93
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.67
LogP ≤ 5	9.93
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-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline?

The IUPAC name of N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline (CID 134194236) is N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline.

What is the SMILES notation for N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline?

The canonical SMILES for N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline is C/C=C\C=C(/C)N(C1=CCC(c2ccccc2)C=C1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1.

What is the InChIKey of N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline?

The InChIKey is NSFZPGFHMLWWDX-HAZHYNCLSA-N. The full InChI is InChI=1S/C36H33N/c1-3-4-14-28(2)37(33-23-21-30(22-24-33)29-15-8-5-9-16-29)34-25-26-35(31-17-10-6-11-18-31)36(27-34)32-19-12-7-13-20-32/h3-21,23-27,30H,22H2,1-2H3/b4-3-,28-14+.

What are the key properties of N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline?

N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline has a molecular weight of 479.67 g/mol, XLogP of 9.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline is sourced from PubChem (CID 134194236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).