1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone

C25H20N2O — CID 134952924

IUPAC1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone
SMILESCC(=O)n1c(-c2c(-c3ccccc3)n(C)c3ccccc23)cc2ccccc21
InChIInChI=1S/C25H20N2O/c1-17(28)27-21-14-8-6-12-19(21)16-23(27)24-20-13-7-9-15-22(20)26(2)25(24)18-10-4-3-5-11-18/h3-16H,1-2H3
InChIKeyIXRXHPMFYVSBIP-UHFFFAOYSA-N
MW364.45 g/mol
LogP6.13
Rot. Bonds2

About 1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone

1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone (PubChem CID 134952924) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone
PubChem CID134952924
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone
SMILESCC(=O)n1c(-c2c(-c3ccccc3)n(C)c3ccccc23)cc2ccccc21
InChIInChI=1S/C25H20N2O/c1-17(28)27-21-14-8-6-12-19(21)16-23(27)24-20-13-7-9-15-22(20)26(2)25(24)18-10-4-3-5-11-18/h3-16H,1-2H3
InChIKeyIXRXHPMFYVSBIP-UHFFFAOYSA-N
XLogP6.13
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2,3-diphenylindole
CID 11426096
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone
CID 102336522
1-(1-methyl-3-phenylindol-2-yl)ethanone
CID 83919736
1-(5-chloro-2-phenylindol-1-yl)ethanone
CID 14493114
1-[2-(4-nitrophenyl)indol-1-yl]ethanone
CID 134941186
1-(2,3,5-triphenylpyrrol-1-yl)ethanone
CID 102223207
benzene;1-methyl-2-phenylindole
CID 158316839
(E)-2-methyl-3-(1-methyl-2-phenylindol-3-yl)prop-2-enoic acid
CID 170873291
1-carbazol-9-ylethanone;ethane
CID 142183368
1-methyl-2-(4-nitrophenyl)-3-phenylindole
CID 160683376
1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone
CID 102525909

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone?
The IUPAC name of 1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone (CID 134952924) is 1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone?
The canonical SMILES for 1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone is CC(=O)n1c(-c2c(-c3ccccc3)n(C)c3ccccc23)cc2ccccc21.
What is the InChIKey of 1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone?
The InChIKey is IXRXHPMFYVSBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c1-17(28)27-21-14-8-6-12-19(21)16-23(27)24-20-13-7-9-15-22(20)26(2)25(24)18-10-4-3-5-11-18/h3-16H,1-2H3.
What are the key properties of 1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone?
1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone has a molecular weight of 364.45 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone is sourced from PubChem (CID 134952924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).