(3Z,6Z)-3-[(1Z,4E,6Z,8Z,9Z)-2-ethenyl-8-ethylidene-4,9-dimethyl-6-prop-2-enylidenedodeca-1,4,9,11-tetraenyl]-2-N,7-dimethylnona-1,3,6,8-tetraene-2,4-diamine

C32H44N2 — CID 126746023

About (3Z,6Z)-3-[(1Z,4E,6Z,8Z,9Z)-2-ethenyl-8-ethylidene-4,9-dimethyl-6-prop-2-enylidenedodeca-1,4,9,11-tetraenyl]-2-N,7-dimethylnona-1,3,6,8-tetraene-2,4-diamine

(3Z,6Z)-3-[(1Z,4E,6Z,8Z,9Z)-2-ethenyl-8-ethylidene-4,9-dimethyl-6-prop-2-enylidenedodeca-1,4,9,11-tetraenyl]-2-N,7-dimethylnona-1,3,6,8-tetraene-2,4-diamine (PubChem CID 126746023) has the molecular formula C32H44N2 and a molecular weight of 456.72 g/mol. Its IUPAC name is (3Z,6Z)-3-[(1Z,4E,6Z,8Z,9Z)-2-ethenyl-8-ethylidene-4,9-dimethyl-6-prop-2-enylidenedodeca-1,4,9,11-tetraenyl]-2-N,7-dimethylnona-1,3,6,8-tetraene-2,4-diamine.

Molecular Properties

• Compound Name: (3Z,6Z)-3-[(1Z,4E,6Z,8Z,9Z)-2-ethenyl-8-ethylidene-4,9-dimethyl-6-prop-2-enylidenedodeca-1,4,9,11-tetraenyl]-2-N,7-dimethylnona-1,3,6,8-tetraene-2,4-diamine
• PubChem CID: 126746023
• Molecular Formula: C32H44N2
• Molecular Weight: 456.72 g/mol
• Exact Mass: 456.35
• IUPAC Name: (3Z,6Z)-3-[(1Z,4E,6Z,8Z,9Z)-2-ethenyl-8-ethylidene-4,9-dimethyl-6-prop-2-enylidenedodeca-1,4,9,11-tetraenyl]-2-N,7-dimethylnona-1,3,6,8-tetraene-2,4-diamine
• SMILES: C=C/C=C(\C=C(/C)C/C(C=C)=C/C(C(=C)NC)=C(/N)C/C=C(/C)C=C)CC(=C/C)/C(C)=C\C=C
• InChI: InChI=1S/C32H44N2/c1-11-16-26(8)30(15-5)22-29(17-12-2)21-25(7)20-28(14-4)23-31(27(9)34-10)32(33)19-18-24(6)13-3/h11-18,21,23,34H,1-4,9,19-20,22,33H2,5-8,10H3/b24-18-,25-21+,26-16-,28-23+,29-17+,30-15-,32-31-
• InChIKey: KIQSZVGLAIEWAQ-VBWSKBFJSA-N
• XLogP: 8.48
• TPSA: 38.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.72
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-[(1Z,4E,6Z,8Z,9Z)-2-ethenyl-8-ethylidene-4,9-dimethyl-6-prop-2-enylidenedodeca-1,4,9,11-tetraenyl]-2-N,7-dimethylnona-1,3,6,8-tetraene-2,4-diamine?

The IUPAC name of (3Z,6Z)-3-[(1Z,4E,6Z,8Z,9Z)-2-ethenyl-8-ethylidene-4,9-dimethyl-6-prop-2-enylidenedodeca-1,4,9,11-tetraenyl]-2-N,7-dimethylnona-1,3,6,8-tetraene-2,4-diamine (CID 126746023) is (3Z,6Z)-3-[(1Z,4E,6Z,8Z,9Z)-2-ethenyl-8-ethylidene-4,9-dimethyl-6-prop-2-enylidenedodeca-1,4,9,11-tetraenyl]-2-N,7-dimethylnona-1,3,6,8-tetraene-2,4-diamine.

What is the SMILES notation for (3Z,6Z)-3-[(1Z,4E,6Z,8Z,9Z)-2-ethenyl-8-ethylidene-4,9-dimethyl-6-prop-2-enylidenedodeca-1,4,9,11-tetraenyl]-2-N,7-dimethylnona-1,3,6,8-tetraene-2,4-diamine?

The canonical SMILES for (3Z,6Z)-3-[(1Z,4E,6Z,8Z,9Z)-2-ethenyl-8-ethylidene-4,9-dimethyl-6-prop-2-enylidenedodeca-1,4,9,11-tetraenyl]-2-N,7-dimethylnona-1,3,6,8-tetraene-2,4-diamine is C=C/C=C(\C=C(/C)C/C(C=C)=C/C(C(=C)NC)=C(/N)C/C=C(/C)C=C)CC(=C/C)/C(C)=C\C=C.

What is the InChIKey of (3Z,6Z)-3-[(1Z,4E,6Z,8Z,9Z)-2-ethenyl-8-ethylidene-4,9-dimethyl-6-prop-2-enylidenedodeca-1,4,9,11-tetraenyl]-2-N,7-dimethylnona-1,3,6,8-tetraene-2,4-diamine?

The InChIKey is KIQSZVGLAIEWAQ-VBWSKBFJSA-N. The full InChI is InChI=1S/C32H44N2/c1-11-16-26(8)30(15-5)22-29(17-12-2)21-25(7)20-28(14-4)23-31(27(9)34-10)32(33)19-18-24(6)13-3/h11-18,21,23,34H,1-4,9,19-20,22,33H2,5-8,10H3/b24-18-,25-21+,26-16-,28-23+,29-17+,30-15-,32-31-.

What are the key properties of (3Z,6Z)-3-[(1Z,4E,6Z,8Z,9Z)-2-ethenyl-8-ethylidene-4,9-dimethyl-6-prop-2-enylidenedodeca-1,4,9,11-tetraenyl]-2-N,7-dimethylnona-1,3,6,8-tetraene-2,4-diamine?

(3Z,6Z)-3-[(1Z,4E,6Z,8Z,9Z)-2-ethenyl-8-ethylidene-4,9-dimethyl-6-prop-2-enylidenedodeca-1,4,9,11-tetraenyl]-2-N,7-dimethylnona-1,3,6,8-tetraene-2,4-diamine has a molecular weight of 456.72 g/mol, XLogP of 8.48, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z,6Z)-3-[(1Z,4E,6Z,8Z,9Z)-2-ethenyl-8-ethylidene-4,9-dimethyl-6-prop-2-enylidenedodeca-1,4,9,11-tetraenyl]-2-N,7-dimethylnona-1,3,6,8-tetraene-2,4-diamine is sourced from PubChem (CID 126746023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).