(2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine

C18H17N — CID 144968069

IUPAC(2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine
SMILES[H]/N=C(\C=C/C=C)c1cc(C)cc(-c2ccccc2)c1
InChIInChI=1S/C18H17N/c1-3-4-10-18(19)17-12-14(2)11-16(13-17)15-8-6-5-7-9-15/h3-13,19H,1H2,2H3/b10-4-,19-18+
InChIKeyPYNHLIMDLZCCFL-YRSKDIJWSA-N
MW247.34 g/mol
LogP4.77
Rot. Bonds4

About (2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine

(2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine (PubChem CID 144968069) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is (2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine
PubChem CID144968069
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name(2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine
SMILES[H]/N=C(\C=C/C=C)c1cc(C)cc(-c2ccccc2)c1
InChIInChI=1S/C18H17N/c1-3-4-10-18(19)17-12-14(2)11-16(13-17)15-8-6-5-7-9-15/h3-13,19H,1H2,2H3/b10-4-,19-18+
InChIKeyPYNHLIMDLZCCFL-YRSKDIJWSA-N
XLogP4.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-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

Related Compounds

1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene
CID 145272446
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-5-phenylbenzene
CID 143388590
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
(2Z)-1-[6-[6-[4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-2-pyridinyl]-4-phenyl-2-pyridinyl]penta-2,4-dien-1-imine
CID 164817087
(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene
CID 145412712
(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine
CID 145412713
(2Z)-1-[3-[(methylideneamino)methyl]phenyl]penta-2,4-dien-1-imine
CID 142560985
N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 143445033
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene
CID 142561273
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine (CID 144968069) is (2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine is [H]/N=C(\C=C/C=C)c1cc(C)cc(-c2ccccc2)c1.
What is the InChIKey of (2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine?
The InChIKey is PYNHLIMDLZCCFL-YRSKDIJWSA-N. The full InChI is InChI=1S/C18H17N/c1-3-4-10-18(19)17-12-14(2)11-16(13-17)15-8-6-5-7-9-15/h3-13,19H,1H2,2H3/b10-4-,19-18+.
What are the key properties of (2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine?
(2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine has a molecular weight of 247.34 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine is sourced from PubChem (CID 144968069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).