3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one

C23H17F2NO — CID 118708379

IUPAC3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one
SMILESO=C(CCc1ccc(F)cc1)c1[nH]c2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C23H17F2NO/c24-17-10-5-15(6-11-17)7-14-21(27)23-22(16-8-12-18(25)13-9-16)19-3-1-2-4-20(19)26-23/h1-6,8-13,26H,7,14H2
InChIKeyPXKDWUDNMQAEKB-UHFFFAOYSA-N
MW361.39 g/mol
LogP5.93
Rot. Bonds5

About 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one

3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one (PubChem CID 118708379) has the molecular formula C23H17F2NO and a molecular weight of 361.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one
PubChem CID118708379
Molecular FormulaC23H17F2NO
Molecular Weight361.39 g/mol
Exact Mass361.13
IUPAC Name3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one
SMILESO=C(CCc1ccc(F)cc1)c1[nH]c2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C23H17F2NO/c24-17-10-5-15(6-11-17)7-14-21(27)23-22(16-8-12-18(25)13-9-16)19-3-1-2-4-20(19)26-23/h1-6,8-13,26H,7,14H2
InChIKeyPXKDWUDNMQAEKB-UHFFFAOYSA-N
XLogP5.93
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.39
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one (CID 118708379) is 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one is O=C(CCc1ccc(F)cc1)c1[nH]c2ccccc2c1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one?
The InChIKey is PXKDWUDNMQAEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO/c24-17-10-5-15(6-11-17)7-14-21(27)23-22(16-8-12-18(25)13-9-16)19-3-1-2-4-20(19)26-23/h1-6,8-13,26H,7,14H2.
What are the key properties of 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one?
3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one has a molecular weight of 361.39 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one is sourced from PubChem (CID 118708379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).