(2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine

C40H38N2 — CID 144969198

IUPAC(2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine
SMILESC=CC(=C(/N=C)c1cc(C=C)c(/C=C\C)cc1C)/C(=N/Cc1ccc(C(=C)C)cc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C40H38N2/c1-8-15-34-24-29(6)38(26-31(34)9-2)40(41-7)37(10-3)39(42-27-30-20-22-32(23-21-30)28(4)5)36-19-14-18-35(25-36)33-16-12-11-13-17-33/h8-26H,2-4,7,27H2,1,5-6H3/b15-8-,40-37-,42-39+
InChIKeyVPKVCUFQTBTGDP-NPEHPEEHSA-N
MW546.76 g/mol
LogP10.66
Rot. Bonds11

About (2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine

(2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine (PubChem CID 144969198) has the molecular formula C40H38N2 and a molecular weight of 546.76 g/mol. Its IUPAC name is (2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine.

Molecular Properties

Compound Name(2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine
PubChem CID144969198
Molecular FormulaC40H38N2
Molecular Weight546.76 g/mol
Exact Mass546.30
IUPAC Name(2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine
SMILESC=CC(=C(/N=C)c1cc(C=C)c(/C=C\C)cc1C)/C(=N/Cc1ccc(C(=C)C)cc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C40H38N2/c1-8-15-34-24-29(6)38(26-31(34)9-2)40(41-7)37(10-3)39(42-27-30-20-22-32(23-21-30)28(4)5)36-19-14-18-35(25-36)33-16-12-11-13-17-33/h8-26H,2-4,7,27H2,1,5-6H3/b15-8-,40-37-,42-39+
InChIKeyVPKVCUFQTBTGDP-NPEHPEEHSA-N
XLogP10.66
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.76
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine?
The IUPAC name of (2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine (CID 144969198) is (2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine.
What is the SMILES notation for (2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine?
The canonical SMILES for (2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine is C=CC(=C(/N=C)c1cc(C=C)c(/C=C\C)cc1C)/C(=N/Cc1ccc(C(=C)C)cc1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of (2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine?
The InChIKey is VPKVCUFQTBTGDP-NPEHPEEHSA-N. The full InChI is InChI=1S/C40H38N2/c1-8-15-34-24-29(6)38(26-31(34)9-2)40(41-7)37(10-3)39(42-27-30-20-22-32(23-21-30)28(4)5)36-19-14-18-35(25-36)33-16-12-11-13-17-33/h8-26H,2-4,7,27H2,1,5-6H3/b15-8-,40-37-,42-39+.
What are the key properties of (2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine?
(2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine has a molecular weight of 546.76 g/mol, XLogP of 10.66, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine is sourced from PubChem (CID 144969198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).