[(Z)-1,3-diphenylprop-1-enyl]hydrazine;6-methyl-2-[(1Z)-3-phenylmethoxybuta-1,3-dienyl]naphthalen-1-amine

C37H37N3O — CID 145261332

About [(Z)-1,3-diphenylprop-1-enyl]hydrazine;6-methyl-2-[(1Z)-3-phenylmethoxybuta-1,3-dienyl]naphthalen-1-amine

[(Z)-1,3-diphenylprop-1-enyl]hydrazine;6-methyl-2-[(1Z)-3-phenylmethoxybuta-1,3-dienyl]naphthalen-1-amine (PubChem CID 145261332) has the molecular formula C37H37N3O and a molecular weight of 539.72 g/mol. Its IUPAC name is [(Z)-1,3-diphenylprop-1-enyl]hydrazine;6-methyl-2-[(1Z)-3-phenylmethoxybuta-1,3-dienyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: [(Z)-1,3-diphenylprop-1-enyl]hydrazine;6-methyl-2-[(1Z)-3-phenylmethoxybuta-1,3-dienyl]naphthalen-1-amine
• PubChem CID: 145261332
• Molecular Formula: C37H37N3O
• Molecular Weight: 539.72 g/mol
• Exact Mass: 539.29
• IUPAC Name: [(Z)-1,3-diphenylprop-1-enyl]hydrazine;6-methyl-2-[(1Z)-3-phenylmethoxybuta-1,3-dienyl]naphthalen-1-amine
• SMILES: C=C(/C=C\c1ccc2cc(C)ccc2c1N)OCc1ccccc1.NN/C(=C\Cc1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H21NO.C15H16N2/c1-16-8-13-21-20(14-16)12-11-19(22(21)23)10-9-17(2)24-15-18-6-4-3-5-7-18;16-17-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h3-14H,2,15,23H2,1H3;1-10,12,17H,11,16H2/b10-9-;15-12-
• InChIKey: ZQOWBPXCZMCSOW-XMESOHQFSA-N
• XLogP: 8.21
• TPSA: 73.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.72
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,3-diphenylprop-1-enyl]hydrazine;6-methyl-2-[(1Z)-3-phenylmethoxybuta-1,3-dienyl]naphthalen-1-amine?

The IUPAC name of [(Z)-1,3-diphenylprop-1-enyl]hydrazine;6-methyl-2-[(1Z)-3-phenylmethoxybuta-1,3-dienyl]naphthalen-1-amine (CID 145261332) is [(Z)-1,3-diphenylprop-1-enyl]hydrazine;6-methyl-2-[(1Z)-3-phenylmethoxybuta-1,3-dienyl]naphthalen-1-amine.

What is the SMILES notation for [(Z)-1,3-diphenylprop-1-enyl]hydrazine;6-methyl-2-[(1Z)-3-phenylmethoxybuta-1,3-dienyl]naphthalen-1-amine?

The canonical SMILES for [(Z)-1,3-diphenylprop-1-enyl]hydrazine;6-methyl-2-[(1Z)-3-phenylmethoxybuta-1,3-dienyl]naphthalen-1-amine is C=C(/C=C\c1ccc2cc(C)ccc2c1N)OCc1ccccc1.NN/C(=C\Cc1ccccc1)c1ccccc1.

What is the InChIKey of [(Z)-1,3-diphenylprop-1-enyl]hydrazine;6-methyl-2-[(1Z)-3-phenylmethoxybuta-1,3-dienyl]naphthalen-1-amine?

The InChIKey is ZQOWBPXCZMCSOW-XMESOHQFSA-N. The full InChI is InChI=1S/C22H21NO.C15H16N2/c1-16-8-13-21-20(14-16)12-11-19(22(21)23)10-9-17(2)24-15-18-6-4-3-5-7-18;16-17-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h3-14H,2,15,23H2,1H3;1-10,12,17H,11,16H2/b10-9-;15-12-.

What are the key properties of [(Z)-1,3-diphenylprop-1-enyl]hydrazine;6-methyl-2-[(1Z)-3-phenylmethoxybuta-1,3-dienyl]naphthalen-1-amine?

[(Z)-1,3-diphenylprop-1-enyl]hydrazine;6-methyl-2-[(1Z)-3-phenylmethoxybuta-1,3-dienyl]naphthalen-1-amine has a molecular weight of 539.72 g/mol, XLogP of 8.21, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-1,3-diphenylprop-1-enyl]hydrazine;6-methyl-2-[(1Z)-3-phenylmethoxybuta-1,3-dienyl]naphthalen-1-amine is sourced from PubChem (CID 145261332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).