2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole

C24H18F3N — CID 10452199

IUPAC2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole
SMILESCc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H18F3N/c1-16-21(19-13-8-14-20(15-19)24(25,26)27)22(17-9-4-2-5-10-17)23(28-16)18-11-6-3-7-12-18/h2-15,28H,1H3
InChIKeyUYBIGJBMPPBLIW-UHFFFAOYSA-N
MW377.41 g/mol
LogP7.34
Rot. Bonds3

About 2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole

2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole (PubChem CID 10452199) has the molecular formula C24H18F3N and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole.

Molecular Properties

Compound Name2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole
PubChem CID10452199
Molecular FormulaC24H18F3N
Molecular Weight377.41 g/mol
Exact Mass377.14
IUPAC Name2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole
SMILESCc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H18F3N/c1-16-21(19-13-8-14-20(15-19)24(25,26)27)22(17-9-4-2-5-10-17)23(28-16)18-11-6-3-7-12-18/h2-15,28H,1H3
InChIKeyUYBIGJBMPPBLIW-UHFFFAOYSA-N
XLogP7.34
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.41
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole?
The IUPAC name of 2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole (CID 10452199) is 2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole.
What is the SMILES notation for 2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole?
The canonical SMILES for 2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole is Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole?
The InChIKey is UYBIGJBMPPBLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N/c1-16-21(19-13-8-14-20(15-19)24(25,26)27)22(17-9-4-2-5-10-17)23(28-16)18-11-6-3-7-12-18/h2-15,28H,1H3.
What are the key properties of 2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole?
2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole has a molecular weight of 377.41 g/mol, XLogP of 7.34, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole is sourced from PubChem (CID 10452199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).