2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one

C32H18N4O2 — CID 163080242

IUPAC2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one
SMILESO=C1C(c2[nH]c3ccccc3c2C2=c3ccccc3=NC2=C2Nc3ccccc3C2=O)=Nc2ccccc21
InChIInChI=1S/C32H18N4O2/c37-31-19-11-3-7-15-23(19)35-29(31)27-25(17-9-1-5-13-21(17)33-27)26-18-10-2-6-14-22(18)34-28(26)30-32(38)20-12-4-8-16-24(20)36-30/h1-16,33,36H
InChIKeyLZGZSWNCEMPXSX-UHFFFAOYSA-N
MW490.52 g/mol
LogP4.84
Rot. Bonds2

About 2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one

2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one (PubChem CID 163080242) has the molecular formula C32H18N4O2 and a molecular weight of 490.52 g/mol. Its IUPAC name is 2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one.

Molecular Properties

Compound Name2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one
PubChem CID163080242
Molecular FormulaC32H18N4O2
Molecular Weight490.52 g/mol
Exact Mass490.14
IUPAC Name2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one
SMILESO=C1C(c2[nH]c3ccccc3c2C2=c3ccccc3=NC2=C2Nc3ccccc3C2=O)=Nc2ccccc21
InChIInChI=1S/C32H18N4O2/c37-31-19-11-3-7-15-23(19)35-29(31)27-25(17-9-1-5-13-21(17)33-27)26-18-10-2-6-14-22(18)34-28(26)30-32(38)20-12-4-8-16-24(20)36-30/h1-16,33,36H
InChIKeyLZGZSWNCEMPXSX-UHFFFAOYSA-N
XLogP4.84
TPSA86.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_E(44)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 285865
2-Phenylindole-3-carboxaldehyde
CID 613305
1-(2-Phenyl-1H-indol-3-yl)ethanone
CID 613364
Murrayaquinone A
CID 127481
1-(2-methyl-1H-indol-3-yl)ethan-1-one
CID 285754
N-methyl-2-{[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl}-1H-indole-3-carboxamide
CID 5328102
Di(1H-indol-2-yl)methanone
CID 10220822
(5-fluoro-1H-indol-2-yl)-(1H-indol-2-yl)methanone
CID 11500099
2-[[4-(4-Fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one
CID 10069784
4-(9,15-Diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)-1-(4-fluorophenyl)butan-1-one
CID 15149406
(4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone
CID 53348204
1-(2-phenyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione
CID 3707234

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one?
The IUPAC name of 2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one (CID 163080242) is 2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one.
What is the SMILES notation for 2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one?
The canonical SMILES for 2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one is O=C1C(c2[nH]c3ccccc3c2C2=c3ccccc3=NC2=C2Nc3ccccc3C2=O)=Nc2ccccc21.
What is the InChIKey of 2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one?
The InChIKey is LZGZSWNCEMPXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4O2/c37-31-19-11-3-7-15-23(19)35-29(31)27-25(17-9-1-5-13-21(17)33-27)26-18-10-2-6-14-22(18)34-28(26)30-32(38)20-12-4-8-16-24(20)36-30/h1-16,33,36H.
What are the key properties of 2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one?
2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one has a molecular weight of 490.52 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one is sourced from PubChem (CID 163080242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).