2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one

C29H22N2O — CID 76840870

IUPAC2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one
SMILESCCn1c2ccccc2c2cc(C=C3C(=O)c4ccccc4N3c3ccccc3)ccc21
InChIInChI=1S/C29H22N2O/c1-2-30-25-14-8-6-12-22(25)24-18-20(16-17-26(24)30)19-28-29(32)23-13-7-9-15-27(23)31(28)21-10-4-3-5-11-21/h3-19H,2H2,1H3
InChIKeyBUUDJQCRVGDAID-UHFFFAOYSA-N
MW414.51 g/mol
LogP7.19
Rot. Bonds3

About 2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one

2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one (PubChem CID 76840870) has the molecular formula C29H22N2O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one.

Molecular Properties

Compound Name2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one
PubChem CID76840870
Molecular FormulaC29H22N2O
Molecular Weight414.51 g/mol
Exact Mass414.17
IUPAC Name2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one
SMILESCCn1c2ccccc2c2cc(C=C3C(=O)c4ccccc4N3c3ccccc3)ccc21
InChIInChI=1S/C29H22N2O/c1-2-30-25-14-8-6-12-22(25)24-18-20(16-17-26(24)30)19-28-29(32)23-13-7-9-15-27(23)31(28)21-10-4-3-5-11-21/h3-19H,2H2,1H3
InChIKeyBUUDJQCRVGDAID-UHFFFAOYSA-N
XLogP7.19
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-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

(2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one
CID 58621794
2-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 122398920
3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one
CID 69456553
(5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6536306
3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid
CID 79736980
5-ethylindeno[1,2-b]carbazol-11-one
CID 135020105
9-ethyl-3-tritylcarbazole
CID 91743871
3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160
(5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one
CID 58958967
3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 72540252
9-ethyl-3-(2-nitroethenyl)carbazole
CID 134120826
9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116

Frequently Asked Questions

What is the IUPAC name of 2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one?
The IUPAC name of 2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one (CID 76840870) is 2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one.
What is the SMILES notation for 2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one?
The canonical SMILES for 2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one is CCn1c2ccccc2c2cc(C=C3C(=O)c4ccccc4N3c3ccccc3)ccc21.
What is the InChIKey of 2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one?
The InChIKey is BUUDJQCRVGDAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O/c1-2-30-25-14-8-6-12-22(25)24-18-20(16-17-26(24)30)19-28-29(32)23-13-7-9-15-27(23)31(28)21-10-4-3-5-11-21/h3-19H,2H2,1H3.
What are the key properties of 2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one?
2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one has a molecular weight of 414.51 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one is sourced from PubChem (CID 76840870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).