(4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one

C24H18O — CID 134936561

IUPAC(4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one
SMILESCC1=C/C(=C(/c2ccccc2)c2cccc3ccccc23)C=CC1=O
InChIInChI=1S/C24H18O/c1-17-16-20(14-15-23(17)25)24(19-9-3-2-4-10-19)22-13-7-11-18-8-5-6-12-21(18)22/h2-16H,1H3/b24-20-
InChIKeyYPWNFCCWQNXTRT-GFMRDNFCSA-N
MW322.41 g/mol
LogP5.73
Rot. Bonds2

About (4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one

(4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one (PubChem CID 134936561) has the molecular formula C24H18O and a molecular weight of 322.41 g/mol. Its IUPAC name is (4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one
PubChem CID134936561
Molecular FormulaC24H18O
Molecular Weight322.41 g/mol
Exact Mass322.14
IUPAC Name(4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one
SMILESCC1=C/C(=C(/c2ccccc2)c2cccc3ccccc23)C=CC1=O
InChIInChI=1S/C24H18O/c1-17-16-20(14-15-23(17)25)24(19-9-3-2-4-10-19)22-13-7-11-18-8-5-6-12-21(18)22/h2-16H,1H3/b24-20-
InChIKeyYPWNFCCWQNXTRT-GFMRDNFCSA-N
XLogP5.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one 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

methyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride
CID 160793372
(4Z)-4-[(4-hydroxy-3-methylphenyl)-(2-hydroxysulfanylphenyl)methylidene]-2-methylcyclohexa-2,5-dien-1-one
CID 143920557
1-(1-phenylprop-1-enyl)naphthalene
CID 54216225
(2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone
CID 21432102
[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate
CID 134263043
methane;naphthalen-1-yl(phenyl)methanone;sulfuric acid
CID 70453659
methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone
CID 174806443
carbonic acid;1-methylnaphthalene
CID 66808059
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
(3-methylbenzoyl) naphthalene-1-carboxylate
CID 87635030
CID 172736940
CID 172736940
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of (4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one (CID 134936561) is (4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for (4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one is CC1=C/C(=C(/c2ccccc2)c2cccc3ccccc23)C=CC1=O.
What is the InChIKey of (4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is YPWNFCCWQNXTRT-GFMRDNFCSA-N. The full InChI is InChI=1S/C24H18O/c1-17-16-20(14-15-23(17)25)24(19-9-3-2-4-10-19)22-13-7-11-18-8-5-6-12-21(18)22/h2-16H,1H3/b24-20-.
What are the key properties of (4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one?
(4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 322.41 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 134936561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).