(1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine

C22H23N — CID 143806230

IUPAC(1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine
SMILESC=C(C/C=C\C(\C=C\c1ccccc1)=N\C)c1ccc(C)cc1
InChIInChI=1S/C22H23N/c1-18-12-15-21(16-13-18)19(2)8-7-11-22(23-3)17-14-20-9-5-4-6-10-20/h4-7,9-17H,2,8H2,1,3H3/b11-7-,17-14+,23-22-
InChIKeyAIAJBXSLMFKMTK-JRRKNYGASA-N
MW301.43 g/mol
LogP5.74
Rot. Bonds6

About (1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine

(1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine (PubChem CID 143806230) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is (1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine.

Molecular Properties

Compound Name(1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine
PubChem CID143806230
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name(1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine
SMILESC=C(C/C=C\C(\C=C\c1ccccc1)=N\C)c1ccc(C)cc1
InChIInChI=1S/C22H23N/c1-18-12-15-21(16-13-18)19(2)8-7-11-22(23-3)17-14-20-9-5-4-6-10-20/h4-7,9-17H,2,8H2,1,3H3/b11-7-,17-14+,23-22-
InChIKeyAIAJBXSLMFKMTK-JRRKNYGASA-N
XLogP5.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine with MolForge

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

Launch Full Analysis

Related Compounds

[(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea
CID 54576742
1-[(1E)-3-benzylbuta-1,3-dienyl]-4-methylbenzene
CID 102460258
(1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole
CID 142918101
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
1-methyl-4-(3-phenylprop-1-en-2-yl)benzene
CID 134964621
3-methylidenehepta-1,5-dienylbenzene
CID 90998971
(E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine
CID 102368885
1-hydroxy-1-(4-methylphenyl)-4-phenylbut-3-en-2-one
CID 4661079
N-methyl-4-phenylbut-3-en-2-imine
CID 15325561
methane;N-methyl-1,3-diphenylprop-2-en-1-imine
CID 159060936
4-methyl-1-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-1-ium
CID 177386853
N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
CID 5080488

Frequently Asked Questions

What is the IUPAC name of (1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine?
The IUPAC name of (1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine (CID 143806230) is (1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine.
What is the SMILES notation for (1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine?
The canonical SMILES for (1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine is C=C(C/C=C\C(\C=C\c1ccccc1)=N\C)c1ccc(C)cc1.
What is the InChIKey of (1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine?
The InChIKey is AIAJBXSLMFKMTK-JRRKNYGASA-N. The full InChI is InChI=1S/C22H23N/c1-18-12-15-21(16-13-18)19(2)8-7-11-22(23-3)17-14-20-9-5-4-6-10-20/h4-7,9-17H,2,8H2,1,3H3/b11-7-,17-14+,23-22-.
What are the key properties of (1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine?
(1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine has a molecular weight of 301.43 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine is sourced from PubChem (CID 143806230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).