(3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one

C25H23NO — CID 177457859

IUPAC(3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one
SMILESCc1cc(C)c(/C(=C2\C(=O)N(C)c3ccccc32)c2ccccc2)c(C)c1
InChIInChI=1S/C25H23NO/c1-16-14-17(2)22(18(3)15-16)23(19-10-6-5-7-11-19)24-20-12-8-9-13-21(20)26(4)25(24)27/h5-15H,1-4H3/b24-23-
InChIKeyWHOUVFSTTZMESM-VHXPQNKSSA-N
MW353.47 g/mol
LogP5.55
Rot. Bonds2

About (3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one

(3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one (PubChem CID 177457859) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is (3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one.

Molecular Properties

Compound Name(3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one
PubChem CID177457859
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name(3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one
SMILESCc1cc(C)c(/C(=C2\C(=O)N(C)c3ccccc32)c2ccccc2)c(C)c1
InChIInChI=1S/C25H23NO/c1-16-14-17(2)22(18(3)15-16)23(19-10-6-5-7-11-19)24-20-12-8-9-13-21(20)26(4)25(24)27/h5-15H,1-4H3/b24-23-
InChIKeyWHOUVFSTTZMESM-VHXPQNKSSA-N
XLogP5.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.55
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one?
The IUPAC name of (3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one (CID 177457859) is (3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one.
What is the SMILES notation for (3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one?
The canonical SMILES for (3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one is Cc1cc(C)c(/C(=C2\C(=O)N(C)c3ccccc32)c2ccccc2)c(C)c1.
What is the InChIKey of (3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one?
The InChIKey is WHOUVFSTTZMESM-VHXPQNKSSA-N. The full InChI is InChI=1S/C25H23NO/c1-16-14-17(2)22(18(3)15-16)23(19-10-6-5-7-11-19)24-20-12-8-9-13-21(20)26(4)25(24)27/h5-15H,1-4H3/b24-23-.
What are the key properties of (3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one?
(3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one has a molecular weight of 353.47 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one is sourced from PubChem (CID 177457859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).