(1Z)-1-N-[(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]but-2-en-2-yl]-1-N'-ethenyl-1-N'-methyl-2,3-diphenylbuta-1,3-diene-1,1-diamine

C34H36N2 — CID 134315495

About (1Z)-1-N-[(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]but-2-en-2-yl]-1-N'-ethenyl-1-N'-methyl-2,3-diphenylbuta-1,3-diene-1,1-diamine

(1Z)-1-N-[(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]but-2-en-2-yl]-1-N'-ethenyl-1-N'-methyl-2,3-diphenylbuta-1,3-diene-1,1-diamine (PubChem CID 134315495) has the molecular formula C34H36N2 and a molecular weight of 472.68 g/mol. Its IUPAC name is (1Z)-1-N-[(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]but-2-en-2-yl]-1-N'-ethenyl-1-N'-methyl-2,3-diphenylbuta-1,3-diene-1,1-diamine.

Molecular Properties

• Compound Name: (1Z)-1-N-[(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]but-2-en-2-yl]-1-N'-ethenyl-1-N'-methyl-2,3-diphenylbuta-1,3-diene-1,1-diamine
• PubChem CID: 134315495
• Molecular Formula: C34H36N2
• Molecular Weight: 472.68 g/mol
• Exact Mass: 472.29
• IUPAC Name: (1Z)-1-N-[(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]but-2-en-2-yl]-1-N'-ethenyl-1-N'-methyl-2,3-diphenylbuta-1,3-diene-1,1-diamine
• SMILES: C=C/C=C\c1cc(/C(C)=C(\C)N/C(=C(/C(=C)c2ccccc2)c2ccccc2)N(C)C=C)ccc1C
• InChI: InChI=1S/C34H36N2/c1-8-10-17-31-24-32(23-22-25(31)3)26(4)28(6)35-34(36(7)9-2)33(30-20-15-12-16-21-30)27(5)29-18-13-11-14-19-29/h8-24,35H,1-2,5H2,3-4,6-7H3/b17-10-,28-26+,34-33+
• InChIKey: CZSQAHLCVUUULV-KQHZGUQPSA-N
• XLogP: 8.69
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.68
LogP ≤ 5	8.69
H-Bond Donors ≤ 5	1
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 (1Z)-1-N-[(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]but-2-en-2-yl]-1-N'-ethenyl-1-N'-methyl-2,3-diphenylbuta-1,3-diene-1,1-diamine?

The IUPAC name of (1Z)-1-N-[(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]but-2-en-2-yl]-1-N'-ethenyl-1-N'-methyl-2,3-diphenylbuta-1,3-diene-1,1-diamine (CID 134315495) is (1Z)-1-N-[(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]but-2-en-2-yl]-1-N'-ethenyl-1-N'-methyl-2,3-diphenylbuta-1,3-diene-1,1-diamine.

What is the SMILES notation for (1Z)-1-N-[(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]but-2-en-2-yl]-1-N'-ethenyl-1-N'-methyl-2,3-diphenylbuta-1,3-diene-1,1-diamine?

The canonical SMILES for (1Z)-1-N-[(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]but-2-en-2-yl]-1-N'-ethenyl-1-N'-methyl-2,3-diphenylbuta-1,3-diene-1,1-diamine is C=C/C=C\c1cc(/C(C)=C(\C)N/C(=C(/C(=C)c2ccccc2)c2ccccc2)N(C)C=C)ccc1C.

What is the InChIKey of (1Z)-1-N-[(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]but-2-en-2-yl]-1-N'-ethenyl-1-N'-methyl-2,3-diphenylbuta-1,3-diene-1,1-diamine?

The InChIKey is CZSQAHLCVUUULV-KQHZGUQPSA-N. The full InChI is InChI=1S/C34H36N2/c1-8-10-17-31-24-32(23-22-25(31)3)26(4)28(6)35-34(36(7)9-2)33(30-20-15-12-16-21-30)27(5)29-18-13-11-14-19-29/h8-24,35H,1-2,5H2,3-4,6-7H3/b17-10-,28-26+,34-33+.

What are the key properties of (1Z)-1-N-[(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]but-2-en-2-yl]-1-N'-ethenyl-1-N'-methyl-2,3-diphenylbuta-1,3-diene-1,1-diamine?

(1Z)-1-N-[(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]but-2-en-2-yl]-1-N'-ethenyl-1-N'-methyl-2,3-diphenylbuta-1,3-diene-1,1-diamine has a molecular weight of 472.68 g/mol, XLogP of 8.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z)-1-N-[(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]but-2-en-2-yl]-1-N'-ethenyl-1-N'-methyl-2,3-diphenylbuta-1,3-diene-1,1-diamine is sourced from PubChem (CID 134315495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).