1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole

C29H20F3N — CID 134948015

IUPAC1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole
SMILESFC(F)(F)c1ccc(-c2c(-c3ccccc3)cc(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C29H20F3N/c30-29(31,32)24-18-16-23(17-19-24)28-26(21-10-4-1-5-11-21)20-27(22-12-6-2-7-13-22)33(28)25-14-8-3-9-15-25/h1-20H
InChIKeyLGJUMHRAOUSUNW-UHFFFAOYSA-N
MW439.48 g/mol
LogP8.50
Rot. Bonds4

About 1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole

1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole (PubChem CID 134948015) has the molecular formula C29H20F3N and a molecular weight of 439.48 g/mol. Its IUPAC name is 1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole.

Molecular Properties

Compound Name1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole
PubChem CID134948015
Molecular FormulaC29H20F3N
Molecular Weight439.48 g/mol
Exact Mass439.15
IUPAC Name1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole
SMILESFC(F)(F)c1ccc(-c2c(-c3ccccc3)cc(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C29H20F3N/c30-29(31,32)24-18-16-23(17-19-24)28-26(21-10-4-1-5-11-21)20-27(22-12-6-2-7-13-22)33(28)25-14-8-3-9-15-25/h1-20H
InChIKeyLGJUMHRAOUSUNW-UHFFFAOYSA-N
XLogP8.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.48
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
3-[2-but-3-enyl-3-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrol-1-yl]benzoic acid
CID 143433130
2-[4-[diphenyl-[4-(3-phenylnaphthalen-2-yl)phenyl]methyl]phenyl]-1-phenylindole
CID 142142857
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]aniline
CID 138467780
5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 155447657
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 142543846
5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 102360830
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
2-(4-fluorophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303719
6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one
CID 132542586

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole?
The IUPAC name of 1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole (CID 134948015) is 1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole.
What is the SMILES notation for 1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole?
The canonical SMILES for 1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole is FC(F)(F)c1ccc(-c2c(-c3ccccc3)cc(-c3ccccc3)n2-c2ccccc2)cc1.
What is the InChIKey of 1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole?
The InChIKey is LGJUMHRAOUSUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F3N/c30-29(31,32)24-18-16-23(17-19-24)28-26(21-10-4-1-5-11-21)20-27(22-12-6-2-7-13-22)33(28)25-14-8-3-9-15-25/h1-20H.
What are the key properties of 1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole?
1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole has a molecular weight of 439.48 g/mol, XLogP of 8.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole is sourced from PubChem (CID 134948015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).