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

C28H18F2N2O — CID 155664469

IUPAC2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one
SMILESO=C1c2ccccc2NC1(c1ccccc1F)c1c(-c2ccccc2F)[nH]c2ccccc12
InChIInChI=1S/C28H18F2N2O/c29-21-13-5-1-9-17(21)26-25(18-10-2-7-15-23(18)31-26)28(20-12-4-6-14-22(20)30)27(33)19-11-3-8-16-24(19)32-28/h1-16,31-32H
InChIKeyMSPDVWQFTAUJQC-UHFFFAOYSA-N
MW436.46 g/mol
LogP6.67
Rot. Bonds3

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

2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one (PubChem CID 155664469) has the molecular formula C28H18F2N2O and a molecular weight of 436.46 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one
PubChem CID155664469
Molecular FormulaC28H18F2N2O
Molecular Weight436.46 g/mol
Exact Mass436.14
IUPAC Name2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one
SMILESO=C1c2ccccc2NC1(c1ccccc1F)c1c(-c2ccccc2F)[nH]c2ccccc12
InChIInChI=1S/C28H18F2N2O/c29-21-13-5-1-9-17(21)26-25(18-10-2-7-15-23(18)31-26)28(20-12-4-6-14-22(20)30)27(33)19-11-3-8-16-24(19)32-28/h1-16,31-32H
InChIKeyMSPDVWQFTAUJQC-UHFFFAOYSA-N
XLogP6.67
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.46
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one
CID 10575786
2-naphthalen-2-yl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-1H-indol-3-one
CID 10815248
2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one
CID 155664466
2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one
CID 155664473
5,5,6,6-tetramethyl-11H-benzo[a]carbazole
CID 3770048
2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one
CID 42883579
1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone
CID 13381171
2-(2-bromophenyl)-2-phenyl-1H-indol-3-one
CID 10959434
3-(2-fluorophenyl)-4-hydroxy-1H-quinolin-2-one
CID 54714378
5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
CID 118155746
3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 4555359
(NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine
CID 135747054

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one?
The IUPAC name of 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one (CID 155664469) is 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one.
What is the SMILES notation for 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one?
The canonical SMILES for 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one is O=C1c2ccccc2NC1(c1ccccc1F)c1c(-c2ccccc2F)[nH]c2ccccc12.
What is the InChIKey of 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one?
The InChIKey is MSPDVWQFTAUJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F2N2O/c29-21-13-5-1-9-17(21)26-25(18-10-2-7-15-23(18)31-26)28(20-12-4-6-14-22(20)30)27(33)19-11-3-8-16-24(19)32-28/h1-16,31-32H.
What are the key properties of 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one?
2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one has a molecular weight of 436.46 g/mol, XLogP of 6.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one is sourced from PubChem (CID 155664469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).