5-(2-ethylphenyl)-3-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2H-pyrrole

C26H22F3N — CID 71017354

IUPAC5-(2-ethylphenyl)-3-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2H-pyrrole
SMILESCCc1ccccc1C1=NCC(c2ccc(-c3ccccc3C(F)(F)F)c(C)c2)=C1
InChIInChI=1S/C26H22F3N/c1-3-18-8-4-5-9-22(18)25-15-20(16-30-25)19-12-13-21(17(2)14-19)23-10-6-7-11-24(23)26(27,28)29/h4-15H,3,16H2,1-2H3
InChIKeySONUERDWMSCIIL-UHFFFAOYSA-N
MW405.46 g/mol
LogP7.13
Rot. Bonds4

About 5-(2-ethylphenyl)-3-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2H-pyrrole

5-(2-ethylphenyl)-3-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2H-pyrrole (PubChem CID 71017354) has the molecular formula C26H22F3N and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-(2-ethylphenyl)-3-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2H-pyrrole.

Molecular Properties

Compound Name5-(2-ethylphenyl)-3-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2H-pyrrole
PubChem CID71017354
Molecular FormulaC26H22F3N
Molecular Weight405.46 g/mol
Exact Mass405.17
IUPAC Name5-(2-ethylphenyl)-3-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2H-pyrrole
SMILESCCc1ccccc1C1=NCC(c2ccc(-c3ccccc3C(F)(F)F)c(C)c2)=C1
InChIInChI=1S/C26H22F3N/c1-3-18-8-4-5-9-22(18)25-15-20(16-30-25)19-12-13-21(17(2)14-19)23-10-6-7-11-24(23)26(27,28)29/h4-15H,3,16H2,1-2H3
InChIKeySONUERDWMSCIIL-UHFFFAOYSA-N
XLogP7.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 2732995
Isoquinoline, 3,4-dihydro-1-methyl-6-phenyl-, hydrochloride
CID 32403
1-Methyl-8-phenyl-3,4-dihydroisoquinoline
CID 32411
7-Methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride
CID 90672430
4-[3,5-bis(trifluoromethyl)phenyl]-7-phenyl-5H-benzo[d][2]benzazepine
CID 85614095
3-fluoro-5,8-diphenyl-7H-benzo[d][2]benzazepine
CID 85614099
5,8-diphenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepine
CID 85614111
7-phenyl-4-[4-(trifluoromethyl)phenyl]-5H-benzo[d][2]benzazepine
CID 85614114
5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine
CID 86185793
1-(4-Fluorophenyl)-5-methyl-3,4-dihydroisoquinoline
CID 12851822
N-Benzhydryl-4-(trifluoromethyl)benzenemethaneimine
CID 15255743
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine
CID 58250195

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)-3-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2H-pyrrole?
The IUPAC name of 5-(2-ethylphenyl)-3-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2H-pyrrole (CID 71017354) is 5-(2-ethylphenyl)-3-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2H-pyrrole.
What is the SMILES notation for 5-(2-ethylphenyl)-3-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2H-pyrrole?
The canonical SMILES for 5-(2-ethylphenyl)-3-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2H-pyrrole is CCc1ccccc1C1=NCC(c2ccc(-c3ccccc3C(F)(F)F)c(C)c2)=C1.
What is the InChIKey of 5-(2-ethylphenyl)-3-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2H-pyrrole?
The InChIKey is SONUERDWMSCIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N/c1-3-18-8-4-5-9-22(18)25-15-20(16-30-25)19-12-13-21(17(2)14-19)23-10-6-7-11-24(23)26(27,28)29/h4-15H,3,16H2,1-2H3.
What are the key properties of 5-(2-ethylphenyl)-3-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2H-pyrrole?
5-(2-ethylphenyl)-3-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2H-pyrrole has a molecular weight of 405.46 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)-3-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2H-pyrrole is sourced from PubChem (CID 71017354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).