2-(6-methoxy-1H-indol-3-yl)-2-phenyl-1H-indol-3-one

C23H18N2O2 — CID 146171509

IUPAC2-(6-methoxy-1H-indol-3-yl)-2-phenyl-1H-indol-3-one
SMILESCOc1ccc2c(C3(c4ccccc4)Nc4ccccc4C3=O)c[nH]c2c1
InChIInChI=1S/C23H18N2O2/c1-27-16-11-12-17-19(14-24-21(17)13-16)23(15-7-3-2-4-8-15)22(26)18-9-5-6-10-20(18)25-23/h2-14,24-25H,1H3
InChIKeyCWWMDZHHOWHUTI-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.73
Rot. Bonds3

About 2-(6-methoxy-1H-indol-3-yl)-2-phenyl-1H-indol-3-one

2-(6-methoxy-1H-indol-3-yl)-2-phenyl-1H-indol-3-one (PubChem CID 146171509) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(6-methoxy-1H-indol-3-yl)-2-phenyl-1H-indol-3-one.

Molecular Properties

Compound Name2-(6-methoxy-1H-indol-3-yl)-2-phenyl-1H-indol-3-one
PubChem CID146171509
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name2-(6-methoxy-1H-indol-3-yl)-2-phenyl-1H-indol-3-one
SMILESCOc1ccc2c(C3(c4ccccc4)Nc4ccccc4C3=O)c[nH]c2c1
InChIInChI=1S/C23H18N2O2/c1-27-16-11-12-17-19(14-24-21(17)13-16)23(15-7-3-2-4-8-15)22(26)18-9-5-6-10-20(18)25-23/h2-14,24-25H,1H3
InChIKeyCWWMDZHHOWHUTI-UHFFFAOYSA-N
XLogP4.73
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
Bpr-0L075
CID 10359957
Koeniginequinone A
CID 11264975
Del-22379
CID 11224574
4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
6-Methoxy-1-methyl-1H-indole-3-carbaldehyde
CID 1382010
6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11508949
6-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11669478
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 16762233
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 5304336

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1H-indol-3-yl)-2-phenyl-1H-indol-3-one?
The IUPAC name of 2-(6-methoxy-1H-indol-3-yl)-2-phenyl-1H-indol-3-one (CID 146171509) is 2-(6-methoxy-1H-indol-3-yl)-2-phenyl-1H-indol-3-one.
What is the SMILES notation for 2-(6-methoxy-1H-indol-3-yl)-2-phenyl-1H-indol-3-one?
The canonical SMILES for 2-(6-methoxy-1H-indol-3-yl)-2-phenyl-1H-indol-3-one is COc1ccc2c(C3(c4ccccc4)Nc4ccccc4C3=O)c[nH]c2c1.
What is the InChIKey of 2-(6-methoxy-1H-indol-3-yl)-2-phenyl-1H-indol-3-one?
The InChIKey is CWWMDZHHOWHUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-27-16-11-12-17-19(14-24-21(17)13-16)23(15-7-3-2-4-8-15)22(26)18-9-5-6-10-20(18)25-23/h2-14,24-25H,1H3.
What are the key properties of 2-(6-methoxy-1H-indol-3-yl)-2-phenyl-1H-indol-3-one?
2-(6-methoxy-1H-indol-3-yl)-2-phenyl-1H-indol-3-one has a molecular weight of 354.41 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1H-indol-3-yl)-2-phenyl-1H-indol-3-one is sourced from PubChem (CID 146171509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).