(Z)-1-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-2-yl]-5-methylphenyl]-N-methyl-3-(methylideneamino)-3-(4-phenylphenyl)prop-2-en-1-amine

C39H36N2 — CID 145373782

About (Z)-1-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-2-yl]-5-methylphenyl]-N-methyl-3-(methylideneamino)-3-(4-phenylphenyl)prop-2-en-1-amine

(Z)-1-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-2-yl]-5-methylphenyl]-N-methyl-3-(methylideneamino)-3-(4-phenylphenyl)prop-2-en-1-amine (PubChem CID 145373782) has the molecular formula C39H36N2 and a molecular weight of 532.73 g/mol. Its IUPAC name is (Z)-1-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-2-yl]-5-methylphenyl]-N-methyl-3-(methylideneamino)-3-(4-phenylphenyl)prop-2-en-1-amine.

Molecular Properties

• Compound Name: (Z)-1-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-2-yl]-5-methylphenyl]-N-methyl-3-(methylideneamino)-3-(4-phenylphenyl)prop-2-en-1-amine
• PubChem CID: 145373782
• Molecular Formula: C39H36N2
• Molecular Weight: 532.73 g/mol
• Exact Mass: 532.29
• IUPAC Name: (Z)-1-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-2-yl]-5-methylphenyl]-N-methyl-3-(methylideneamino)-3-(4-phenylphenyl)prop-2-en-1-amine
• SMILES: C=Cc1c(-c2cc(C)cc(C(/C=C(\N=C)c3ccc(-c4ccccc4)cc3)NC)c2)cc2ccccc2c1/C=C\C
• InChI: InChI=1S/C39H36N2/c1-6-13-36-34(7-2)37(25-31-16-11-12-17-35(31)36)32-22-27(3)23-33(24-32)39(41-5)26-38(40-4)30-20-18-29(19-21-30)28-14-9-8-10-15-28/h6-26,39,41H,2,4H2,1,3,5H3/b13-6-,38-26-
• InChIKey: HSIXDLBSRKLBAV-APGLEARKSA-N
• XLogP: 10.16
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.73
LogP ≤ 5	10.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-2-yl]-5-methylphenyl]-N-methyl-3-(methylideneamino)-3-(4-phenylphenyl)prop-2-en-1-amine?

The IUPAC name of (Z)-1-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-2-yl]-5-methylphenyl]-N-methyl-3-(methylideneamino)-3-(4-phenylphenyl)prop-2-en-1-amine (CID 145373782) is (Z)-1-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-2-yl]-5-methylphenyl]-N-methyl-3-(methylideneamino)-3-(4-phenylphenyl)prop-2-en-1-amine.

What is the SMILES notation for (Z)-1-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-2-yl]-5-methylphenyl]-N-methyl-3-(methylideneamino)-3-(4-phenylphenyl)prop-2-en-1-amine?

The canonical SMILES for (Z)-1-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-2-yl]-5-methylphenyl]-N-methyl-3-(methylideneamino)-3-(4-phenylphenyl)prop-2-en-1-amine is C=Cc1c(-c2cc(C)cc(C(/C=C(\N=C)c3ccc(-c4ccccc4)cc3)NC)c2)cc2ccccc2c1/C=C\C.

What is the InChIKey of (Z)-1-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-2-yl]-5-methylphenyl]-N-methyl-3-(methylideneamino)-3-(4-phenylphenyl)prop-2-en-1-amine?

The InChIKey is HSIXDLBSRKLBAV-APGLEARKSA-N. The full InChI is InChI=1S/C39H36N2/c1-6-13-36-34(7-2)37(25-31-16-11-12-17-35(31)36)32-22-27(3)23-33(24-32)39(41-5)26-38(40-4)30-20-18-29(19-21-30)28-14-9-8-10-15-28/h6-26,39,41H,2,4H2,1,3,5H3/b13-6-,38-26-.

What are the key properties of (Z)-1-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-2-yl]-5-methylphenyl]-N-methyl-3-(methylideneamino)-3-(4-phenylphenyl)prop-2-en-1-amine?

(Z)-1-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-2-yl]-5-methylphenyl]-N-methyl-3-(methylideneamino)-3-(4-phenylphenyl)prop-2-en-1-amine has a molecular weight of 532.73 g/mol, XLogP of 10.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-2-yl]-5-methylphenyl]-N-methyl-3-(methylideneamino)-3-(4-phenylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 145373782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).