2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanone

C24H16F3NO — CID 71763965

IUPAC2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanone
SMILESO=C(c1cc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)[nH]1)C(F)(F)F
InChIInChI=1S/C24H16F3NO/c25-24(26,27)23(29)21-15-20(18-9-5-2-6-10-18)22(28-21)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15,28H
InChIKeyVHEHPXAIEWFETR-UHFFFAOYSA-N
MW391.39 g/mol
LogP6.76
Rot. Bonds4

About 2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanone

2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanone (PubChem CID 71763965) has the molecular formula C24H16F3NO and a molecular weight of 391.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanone
PubChem CID71763965
Molecular FormulaC24H16F3NO
Molecular Weight391.39 g/mol
Exact Mass391.12
IUPAC Name2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanone
SMILESO=C(c1cc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)[nH]1)C(F)(F)F
InChIInChI=1S/C24H16F3NO/c25-24(26,27)23(29)21-15-20(18-9-5-2-6-10-18)22(28-21)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15,28H
InChIKeyVHEHPXAIEWFETR-UHFFFAOYSA-N
XLogP6.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanone (CID 71763965) is 2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanone is O=C(c1cc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanone?
The InChIKey is VHEHPXAIEWFETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3NO/c25-24(26,27)23(29)21-15-20(18-9-5-2-6-10-18)22(28-21)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15,28H.
What are the key properties of 2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanone?
2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanone has a molecular weight of 391.39 g/mol, XLogP of 6.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanone is sourced from PubChem (CID 71763965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).