4-[(3E,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-yl]-N,3-diphenyl-N-(4-phenylphenyl)aniline

C42H35N — CID 145117444

About 4-[(3E,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-yl]-N,3-diphenyl-N-(4-phenylphenyl)aniline

4-[(3E,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-yl]-N,3-diphenyl-N-(4-phenylphenyl)aniline (PubChem CID 145117444) has the molecular formula C42H35N and a molecular weight of 553.75 g/mol. Its IUPAC name is 4-[(3E,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-yl]-N,3-diphenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 4-[(3E,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-yl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 145117444
• Molecular Formula: C42H35N
• Molecular Weight: 553.75 g/mol
• Exact Mass: 553.28
• IUPAC Name: 4-[(3E,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-yl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
• SMILES: C=C/C=C\C(=C)C(=C)/C(=C\C=C)c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1-c1ccccc1
• InChI: InChI=1S/C42H35N/c1-5-7-18-32(3)33(4)40(17-6-2)41-30-29-39(31-42(41)36-21-13-9-14-22-36)43(37-23-15-10-16-24-37)38-27-25-35(26-28-38)34-19-11-8-12-20-34/h5-31H,1-4H2/b18-7-,40-17+
• InChIKey: BVBJQTVJKXXGBK-SZTWSBNHSA-N
• XLogP: 11.91
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.75
LogP ≤ 5	11.91
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 4-[(3E,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-yl]-N,3-diphenyl-N-(4-phenylphenyl)aniline?

The IUPAC name of 4-[(3E,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-yl]-N,3-diphenyl-N-(4-phenylphenyl)aniline (CID 145117444) is 4-[(3E,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-yl]-N,3-diphenyl-N-(4-phenylphenyl)aniline.

What is the SMILES notation for 4-[(3E,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-yl]-N,3-diphenyl-N-(4-phenylphenyl)aniline?

The canonical SMILES for 4-[(3E,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-yl]-N,3-diphenyl-N-(4-phenylphenyl)aniline is C=C/C=C\C(=C)C(=C)/C(=C\C=C)c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1-c1ccccc1.

What is the InChIKey of 4-[(3E,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-yl]-N,3-diphenyl-N-(4-phenylphenyl)aniline?

The InChIKey is BVBJQTVJKXXGBK-SZTWSBNHSA-N. The full InChI is InChI=1S/C42H35N/c1-5-7-18-32(3)33(4)40(17-6-2)41-30-29-39(31-42(41)36-21-13-9-14-22-36)43(37-23-15-10-16-24-37)38-27-25-35(26-28-38)34-19-11-8-12-20-34/h5-31H,1-4H2/b18-7-,40-17+.

What are the key properties of 4-[(3E,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-yl]-N,3-diphenyl-N-(4-phenylphenyl)aniline?

4-[(3E,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-yl]-N,3-diphenyl-N-(4-phenylphenyl)aniline has a molecular weight of 553.75 g/mol, XLogP of 11.91, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3E,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-yl]-N,3-diphenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 145117444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).