1-(4-methoxyphenyl)-4-methyl-3-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole

C25H20F3NO — CID 134951017

IUPAC1-(4-methoxyphenyl)-4-methyl-3-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole
SMILESCOc1ccc(-n2cc(C)c(-c3ccccc3)c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C25H20F3NO/c1-17-16-29(21-12-14-22(30-2)15-13-21)24(23(17)18-6-4-3-5-7-18)19-8-10-20(11-9-19)25(26,27)28/h3-16H,1-2H3
InChIKeyBAAIDMNTFDHNSU-UHFFFAOYSA-N
MW407.44 g/mol
LogP7.15
Rot. Bonds4

About 1-(4-methoxyphenyl)-4-methyl-3-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole

1-(4-methoxyphenyl)-4-methyl-3-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole (PubChem CID 134951017) has the molecular formula C25H20F3NO and a molecular weight of 407.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-methyl-3-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-methyl-3-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole
PubChem CID134951017
Molecular FormulaC25H20F3NO
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Name1-(4-methoxyphenyl)-4-methyl-3-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole
SMILESCOc1ccc(-n2cc(C)c(-c3ccccc3)c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C25H20F3NO/c1-17-16-29(21-12-14-22(30-2)15-13-21)24(23(17)18-6-4-3-5-7-18)19-8-10-20(11-9-19)25(26,27)28/h3-16H,1-2H3
InChIKeyBAAIDMNTFDHNSU-UHFFFAOYSA-N
XLogP7.15
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.44
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-6-methoxy-4-methylquinolinium chloride
CID 2834440
1,6-Bis(4-propan-2-yloxyphenyl)indole
CID 134179284
1-(4-methoxyphenyl)-1H-indole
CID 775715
[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929
[2-(5-Methoxy-1-phenyl-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 44327972
2-(1-(4-methoxybenzyl)-1H-indol-3-yl)-N,N-dimethylethanamine
CID 44438728
3-(4-Difluoromethoxybenzylidene)anabaseine
CID 46702686
4-[1-(4-fluorophenyl)indol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 118720770
4-[1-(4-fluorophenyl)indol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutan-1-amine
CID 118720772
4-[1-(4-fluorophenyl)indol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]-N-methylbutan-1-amine
CID 118720773
4-[1-(4-fluorophenyl)indol-3-yl]-N-[(3-methoxyphenyl)methyl]butan-1-amine
CID 118720775
4-[1-(4-fluorophenyl)indol-3-yl]-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 118720776

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-methyl-3-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole?
The IUPAC name of 1-(4-methoxyphenyl)-4-methyl-3-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole (CID 134951017) is 1-(4-methoxyphenyl)-4-methyl-3-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-methyl-3-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole?
The canonical SMILES for 1-(4-methoxyphenyl)-4-methyl-3-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole is COc1ccc(-n2cc(C)c(-c3ccccc3)c2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-methyl-3-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole?
The InChIKey is BAAIDMNTFDHNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3NO/c1-17-16-29(21-12-14-22(30-2)15-13-21)24(23(17)18-6-4-3-5-7-18)19-8-10-20(11-9-19)25(26,27)28/h3-16H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-methyl-3-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole?
1-(4-methoxyphenyl)-4-methyl-3-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole has a molecular weight of 407.44 g/mol, XLogP of 7.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-methyl-3-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole is sourced from PubChem (CID 134951017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).