2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole

C37H15F24N — CID 102204600

IUPAC2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole
SMILESCn1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C37H15F24N/c1-62-28(16-6-22(34(50,51)52)12-23(7-16)35(53,54)55)26(14-2-18(30(38,39)40)10-19(3-14)31(41,42)43)27(15-4-20(32(44,45)46)11-21(5-15)33(47,48)49)29(62)17-8-24(36(56,57)58)13-25(9-17)37(59,60)61/h2-13H,1H3
InChIKeyGCCKEBALUSMXSF-UHFFFAOYSA-N
MW929.49 g/mol
LogP15.84
Rot. Bonds4

About 2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole

2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole (PubChem CID 102204600) has the molecular formula C37H15F24N and a molecular weight of 929.49 g/mol. Its IUPAC name is 2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole.

Molecular Properties

Compound Name2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole
PubChem CID102204600
Molecular FormulaC37H15F24N
Molecular Weight929.49 g/mol
Exact Mass929.08
IUPAC Name2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole
SMILESCn1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C37H15F24N/c1-62-28(16-6-22(34(50,51)52)12-23(7-16)35(53,54)55)26(14-2-18(30(38,39)40)10-19(3-14)31(41,42)43)27(15-4-20(32(44,45)46)11-21(5-15)33(47,48)49)29(62)17-8-24(36(56,57)58)13-25(9-17)37(59,60)61/h2-13H,1H3
InChIKeyGCCKEBALUSMXSF-UHFFFAOYSA-N
XLogP15.84
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.49
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Butyl-2,4,6-triphenylpyridin-1-ium; tetrafluoroboranuide
CID 12377997
2,5,6-Trimethyl-1,3-diphenyl-4,7-dihydro-2H-isoindole
CID 10710333
1-Methyl-2,4,6-triphenylpyridinium tetrafluoroborate
CID 12377995
2-Methyl-1,3-diphenyl-4,5,6,7-tetrahydro-2H-isoindole
CID 325253
1-Methyl-2,5-diphenylpyrrole
CID 5091117
Pyridinium, 1-methyl-2,4,6-triphenyl-
CID 3301949
2-methyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrrole
CID 10452199
7-Benzyl-1,8-dimethyl-4,6-diphenyl-5,7-dihydropyrrolo[3,4-d][1,2]diazepine
CID 53338475
9H-Carbazole, 9-[[3-(trifluoromethyl)phenyl]methyl]-
CID 13283782
1-Methyl-2-(3-(trifluoromethyl)phenyl)-1H-indole
CID 102182007
1-Methyl-2,3-bis[4-(trifluoromethyl)phenyl]-1H-indole
CID 102479988
1,2,5-trimethyl-3,4-diphenyl-1H-pyrrole
CID 277660

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole?
The IUPAC name of 2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole (CID 102204600) is 2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole.
What is the SMILES notation for 2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole?
The canonical SMILES for 2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole is Cn1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole?
The InChIKey is GCCKEBALUSMXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H15F24N/c1-62-28(16-6-22(34(50,51)52)12-23(7-16)35(53,54)55)26(14-2-18(30(38,39)40)10-19(3-14)31(41,42)43)27(15-4-20(32(44,45)46)11-21(5-15)33(47,48)49)29(62)17-8-24(36(56,57)58)13-25(9-17)37(59,60)61/h2-13H,1H3.
What are the key properties of 2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole?
2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole has a molecular weight of 929.49 g/mol, XLogP of 15.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole is sourced from PubChem (CID 102204600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).