1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethanone

C24H17FN2O — CID 138403050

IUPAC1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethanone
SMILESO=C(c1ccc(F)cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H17FN2O/c25-16-11-9-15(10-12-16)24(28)23(19-13-26-21-7-3-1-5-17(19)21)20-14-27-22-8-4-2-6-18(20)22/h1-14,23,26-27H
InChIKeyAVFYSTFKIFCPNG-UHFFFAOYSA-N
MW368.41 g/mol
LogP5.80
Rot. Bonds4

About 1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethanone

1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethanone (PubChem CID 138403050) has the molecular formula C24H17FN2O and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethanone
PubChem CID138403050
Molecular FormulaC24H17FN2O
Molecular Weight368.41 g/mol
Exact Mass368.13
IUPAC Name1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethanone
SMILESO=C(c1ccc(F)cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H17FN2O/c25-16-11-9-15(10-12-16)24(28)23(19-13-26-21-7-3-1-5-17(19)21)20-14-27-22-8-4-2-6-18(20)22/h1-14,23,26-27H
InChIKeyAVFYSTFKIFCPNG-UHFFFAOYSA-N
XLogP5.80
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Indoramin
CID 33625
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Indole-3-acetamide
CID 397
Bisindolylmaleimide VIII
CID 2403
Indole-5-carboxamide
CID 14973220
Pf-06840003
CID 23063810
Indoramin hydrochloride
CID 38102
3-Acetylindole
CID 12802
1H-indole-3-carboxamide
CID 2192542
4-Fluoro-N-(3-(1-methyl-4-piperidinyl)-1H-indol-5-yl)benzamide
CID 5311258
Slv-310
CID 9888211
Indole, 3-(dimethylaminoacetyl)-
CID 34863

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethanone (CID 138403050) is 1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethanone is O=C(c1ccc(F)cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethanone?
The InChIKey is AVFYSTFKIFCPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O/c25-16-11-9-15(10-12-16)24(28)23(19-13-26-21-7-3-1-5-17(19)21)20-14-27-22-8-4-2-6-18(20)22/h1-14,23,26-27H.
What are the key properties of 1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethanone?
1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethanone has a molecular weight of 368.41 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethanone is sourced from PubChem (CID 138403050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).