1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one

C22H17NO — CID 4209070

IUPAC1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one
SMILESCN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C22H17NO/c1-23-21-10-6-5-9-19(21)20(22(23)24)15-16-11-13-18(14-12-16)17-7-3-2-4-8-17/h2-15H,1H3
InChIKeyLHHBSDNJCMTGQF-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.87
Rot. Bonds2

About 1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one

1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one (PubChem CID 4209070) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one.

Molecular Properties

Compound Name1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one
PubChem CID4209070
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one
SMILESCN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C22H17NO/c1-23-21-10-6-5-9-19(21)20(22(23)24)15-16-11-13-18(14-12-16)17-7-3-2-4-8-17/h2-15H,1H3
InChIKeyLHHBSDNJCMTGQF-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one
CID 964242
(3E)-3-[(3-bromophenyl)methylidene]-1-methylindol-2-one
CID 112979029
1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one
CID 964257
3-ethylidene-1-methylindol-2-one
CID 85157103
(3E)-1-methyl-3-propylideneindol-2-one
CID 58101344
(3E)-3-[(2-hydroxyphenyl)methylidene]-1-methylindol-2-one
CID 139193133
3,4-dibenzylidene-1-methylpyrrolidine-2,5-dione
CID 54410030
(3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one
CID 964148
(3Z)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one
CID 964149
2-[(4Z)-1,3-dioxo-4-[(4-phenylphenyl)methylidene]isoquinolin-2-yl]acetic acid
CID 9367828
methyl 4-[[4-[(E)-(1-methyl-2-oxoindol-3-ylidene)methyl]phenoxy]methyl]benzoate
CID 7972073
2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride
CID 164576931

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one?
The IUPAC name of 1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one (CID 4209070) is 1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one.
What is the SMILES notation for 1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one?
The canonical SMILES for 1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one is CN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one?
The InChIKey is LHHBSDNJCMTGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-23-21-10-6-5-9-19(21)20(22(23)24)15-16-11-13-18(14-12-16)17-7-3-2-4-8-17/h2-15H,1H3.
What are the key properties of 1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one?
1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one has a molecular weight of 311.38 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one is sourced from PubChem (CID 4209070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).