2-(4-bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole

C30H20BrF4N — CID 164674531

IUPAC2-(4-bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole
SMILESCc1c(-c2ccc(F)cc2)c(-c2ccccc2)c(-c2ccc(Br)cc2)n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H20BrF4N/c1-19-27(21-9-15-25(32)16-10-21)28(20-5-3-2-4-6-20)29(22-7-13-24(31)14-8-22)36(19)26-17-11-23(12-18-26)30(33,34)35/h2-18H,1H3
InChIKeyPAJWOGQLTJHCIB-UHFFFAOYSA-N
MW550.39 g/mol
LogP9.71
Rot. Bonds4

About 2-(4-bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole

2-(4-bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole (PubChem CID 164674531) has the molecular formula C30H20BrF4N and a molecular weight of 550.39 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole
PubChem CID164674531
Molecular FormulaC30H20BrF4N
Molecular Weight550.39 g/mol
Exact Mass549.07
IUPAC Name2-(4-bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole
SMILESCc1c(-c2ccc(F)cc2)c(-c2ccccc2)c(-c2ccc(Br)cc2)n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H20BrF4N/c1-19-27(21-9-15-25(32)16-10-21)28(20-5-3-2-4-6-20)29(22-7-13-24(31)14-8-22)36(19)26-17-11-23(12-18-26)30(33,34)35/h2-18H,1H3
InChIKeyPAJWOGQLTJHCIB-UHFFFAOYSA-N
XLogP9.71
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.39
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrole, 1-(p-bromophenyl)-2-methyl-5-phenyl-
CID 122758
2-(4-Bromophenyl)-4,6-diphenylpyridine
CID 2801866
3-(4-Bromophenyl)-9-phenylcarbazole
CID 51358293
4-(4-Bromophenyl)-2,6-diphenylpyridine
CID 633486
1H-Pyrrole, 1-(4-bromophenyl)-2-(4-cyclohexylphenyl)-5-methyl-
CID 3021784
1-(3-Bromophenyl)-2-(4-cyclohexylphenyl)-5-methyl-1H-pyrrole
CID 3021785
9-(4-Biphenylyl)-3-bromocarbazole
CID 53401105
3-(3-Bromophenyl)-9-phenyl-9H-carbazole
CID 58871157
9-(4'-Bromo-4-biphenylyl)carbazole
CID 58892386
9-(2'-Bromo-4-biphenylyl)carbazole
CID 59228327
9-(4-Biphenylyl)-3-(4-bromophenyl)carbazole
CID 59728582
3-(2-Bromophenyl)-9-phenyl-9H-carbazole
CID 66929540

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole?
The IUPAC name of 2-(4-bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole (CID 164674531) is 2-(4-bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole.
What is the SMILES notation for 2-(4-bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole?
The canonical SMILES for 2-(4-bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole is Cc1c(-c2ccc(F)cc2)c(-c2ccccc2)c(-c2ccc(Br)cc2)n1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole?
The InChIKey is PAJWOGQLTJHCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BrF4N/c1-19-27(21-9-15-25(32)16-10-21)28(20-5-3-2-4-6-20)29(22-7-13-24(31)14-8-22)36(19)26-17-11-23(12-18-26)30(33,34)35/h2-18H,1H3.
What are the key properties of 2-(4-bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole?
2-(4-bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole has a molecular weight of 550.39 g/mol, XLogP of 9.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole is sourced from PubChem (CID 164674531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).