3-methyl-N-[(2E,4Z)-1-[4-[methyl-[(3E)-6-methylhepta-1,3,5-trien-4-yl]amino]phenyl]iminohexa-2,4-dien-3-yl]-N-phenylaniline

C34H37N3 — CID 144918425

About 3-methyl-N-[(2E,4Z)-1-[4-[methyl-[(3E)-6-methylhepta-1,3,5-trien-4-yl]amino]phenyl]iminohexa-2,4-dien-3-yl]-N-phenylaniline

3-methyl-N-[(2E,4Z)-1-[4-[methyl-[(3E)-6-methylhepta-1,3,5-trien-4-yl]amino]phenyl]iminohexa-2,4-dien-3-yl]-N-phenylaniline (PubChem CID 144918425) has the molecular formula C34H37N3 and a molecular weight of 487.69 g/mol. Its IUPAC name is 3-methyl-N-[(2E,4Z)-1-[4-[methyl-[(3E)-6-methylhepta-1,3,5-trien-4-yl]amino]phenyl]iminohexa-2,4-dien-3-yl]-N-phenylaniline.

Molecular Properties

• Compound Name: 3-methyl-N-[(2E,4Z)-1-[4-[methyl-[(3E)-6-methylhepta-1,3,5-trien-4-yl]amino]phenyl]iminohexa-2,4-dien-3-yl]-N-phenylaniline
• PubChem CID: 144918425
• Molecular Formula: C34H37N3
• Molecular Weight: 487.69 g/mol
• Exact Mass: 487.30
• IUPAC Name: 3-methyl-N-[(2E,4Z)-1-[4-[methyl-[(3E)-6-methylhepta-1,3,5-trien-4-yl]amino]phenyl]iminohexa-2,4-dien-3-yl]-N-phenylaniline
• SMILES: C=C/C=C(\C=C(C)C)N(C)c1ccc(/N=C/C=C(\C=C/C)N(c2ccccc2)c2cccc(C)c2)cc1
• InChI: InChI=1S/C34H37N3/c1-7-13-31(37(32-16-10-9-11-17-32)34-18-12-15-28(5)26-34)23-24-35-29-19-21-30(22-20-29)36(6)33(14-8-2)25-27(3)4/h7-26H,2H2,1,3-6H3/b13-7-,31-23+,33-14+,35-24+
• InChIKey: IUICUASCCMPBRP-DSCRPVPWSA-N
• XLogP: 9.47
• TPSA: 18.84 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.69
LogP ≤ 5	9.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2E,4Z)-1-[4-[methyl-[(3E)-6-methylhepta-1,3,5-trien-4-yl]amino]phenyl]iminohexa-2,4-dien-3-yl]-N-phenylaniline?

The IUPAC name of 3-methyl-N-[(2E,4Z)-1-[4-[methyl-[(3E)-6-methylhepta-1,3,5-trien-4-yl]amino]phenyl]iminohexa-2,4-dien-3-yl]-N-phenylaniline (CID 144918425) is 3-methyl-N-[(2E,4Z)-1-[4-[methyl-[(3E)-6-methylhepta-1,3,5-trien-4-yl]amino]phenyl]iminohexa-2,4-dien-3-yl]-N-phenylaniline.

What is the SMILES notation for 3-methyl-N-[(2E,4Z)-1-[4-[methyl-[(3E)-6-methylhepta-1,3,5-trien-4-yl]amino]phenyl]iminohexa-2,4-dien-3-yl]-N-phenylaniline?

The canonical SMILES for 3-methyl-N-[(2E,4Z)-1-[4-[methyl-[(3E)-6-methylhepta-1,3,5-trien-4-yl]amino]phenyl]iminohexa-2,4-dien-3-yl]-N-phenylaniline is C=C/C=C(\C=C(C)C)N(C)c1ccc(/N=C/C=C(\C=C/C)N(c2ccccc2)c2cccc(C)c2)cc1.

What is the InChIKey of 3-methyl-N-[(2E,4Z)-1-[4-[methyl-[(3E)-6-methylhepta-1,3,5-trien-4-yl]amino]phenyl]iminohexa-2,4-dien-3-yl]-N-phenylaniline?

The InChIKey is IUICUASCCMPBRP-DSCRPVPWSA-N. The full InChI is InChI=1S/C34H37N3/c1-7-13-31(37(32-16-10-9-11-17-32)34-18-12-15-28(5)26-34)23-24-35-29-19-21-30(22-20-29)36(6)33(14-8-2)25-27(3)4/h7-26H,2H2,1,3-6H3/b13-7-,31-23+,33-14+,35-24+.

What are the key properties of 3-methyl-N-[(2E,4Z)-1-[4-[methyl-[(3E)-6-methylhepta-1,3,5-trien-4-yl]amino]phenyl]iminohexa-2,4-dien-3-yl]-N-phenylaniline?

3-methyl-N-[(2E,4Z)-1-[4-[methyl-[(3E)-6-methylhepta-1,3,5-trien-4-yl]amino]phenyl]iminohexa-2,4-dien-3-yl]-N-phenylaniline has a molecular weight of 487.69 g/mol, XLogP of 9.47, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[(2E,4Z)-1-[4-[methyl-[(3E)-6-methylhepta-1,3,5-trien-4-yl]amino]phenyl]iminohexa-2,4-dien-3-yl]-N-phenylaniline is sourced from PubChem (CID 144918425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).