(3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one

C24H22NO2P — CID 59079665

IUPAC(3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one
SMILESCc1ccc(/C=C2\C(=O)Nc3cc(-c4ccccc4)ccc32)cc1P(C)(C)=O
InChIInChI=1S/C24H22NO2P/c1-16-9-10-17(14-23(16)28(2,3)27)13-21-20-12-11-19(15-22(20)25-24(21)26)18-7-5-4-6-8-18/h4-15H,1-3H3,(H,25,26)/b21-13-
InChIKeyZOMHCMOJAGHWGC-BKUYFWCQSA-N
MW387.42 g/mol
LogP5.40
Rot. Bonds3

About (3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one

(3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one (PubChem CID 59079665) has the molecular formula C24H22NO2P and a molecular weight of 387.42 g/mol. Its IUPAC name is (3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one
PubChem CID59079665
Molecular FormulaC24H22NO2P
Molecular Weight387.42 g/mol
Exact Mass387.14
IUPAC Name(3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one
SMILESCc1ccc(/C=C2\C(=O)Nc3cc(-c4ccccc4)ccc32)cc1P(C)(C)=O
InChIInChI=1S/C24H22NO2P/c1-16-9-10-17(14-23(16)28(2,3)27)13-21-20-12-11-19(15-22(20)25-24(21)26)18-7-5-4-6-8-18/h4-15H,1-3H3,(H,25,26)/b21-13-
InChIKeyZOMHCMOJAGHWGC-BKUYFWCQSA-N
XLogP5.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.42
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one (CID 59079665) is (3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one is Cc1ccc(/C=C2\C(=O)Nc3cc(-c4ccccc4)ccc32)cc1P(C)(C)=O.
What is the InChIKey of (3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one?
The InChIKey is ZOMHCMOJAGHWGC-BKUYFWCQSA-N. The full InChI is InChI=1S/C24H22NO2P/c1-16-9-10-17(14-23(16)28(2,3)27)13-21-20-12-11-19(15-22(20)25-24(21)26)18-7-5-4-6-8-18/h4-15H,1-3H3,(H,25,26)/b21-13-.
What are the key properties of (3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one?
(3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one has a molecular weight of 387.42 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one is sourced from PubChem (CID 59079665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).