2-(3-bromophenyl)-3-methyl-5-phenyl-1H-pyrrole

C17H14BrN — CID 177426378

IUPAC2-(3-bromophenyl)-3-methyl-5-phenyl-1H-pyrrole
SMILESCc1cc(-c2ccccc2)[nH]c1-c1cccc(Br)c1
InChIInChI=1S/C17H14BrN/c1-12-10-16(13-6-3-2-4-7-13)19-17(12)14-8-5-9-15(18)11-14/h2-11,19H,1H3
InChIKeyZTTYTEHIGPZDEI-UHFFFAOYSA-N
MW312.21 g/mol
LogP5.42
Rot. Bonds2

About 2-(3-bromophenyl)-3-methyl-5-phenyl-1H-pyrrole

2-(3-bromophenyl)-3-methyl-5-phenyl-1H-pyrrole (PubChem CID 177426378) has the molecular formula C17H14BrN and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-methyl-5-phenyl-1H-pyrrole.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-methyl-5-phenyl-1H-pyrrole
PubChem CID177426378
Molecular FormulaC17H14BrN
Molecular Weight312.21 g/mol
Exact Mass311.03
IUPAC Name2-(3-bromophenyl)-3-methyl-5-phenyl-1H-pyrrole
SMILESCc1cc(-c2ccccc2)[nH]c1-c1cccc(Br)c1
InChIInChI=1S/C17H14BrN/c1-12-10-16(13-6-3-2-4-7-13)19-17(12)14-8-5-9-15(18)11-14/h2-11,19H,1H3
InChIKeyZTTYTEHIGPZDEI-UHFFFAOYSA-N
XLogP5.42
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.21
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-3-phenylbenzene;ethane
CID 163977967
1-bromo-3-phenylbenzene
CID 16449
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
methyl 4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)benzoate
CID 177440288
5-(furan-2-yl)-3-methyl-2-phenyl-1H-pyrrole
CID 134968569
lithium;1-bromo-3-phenylbenzene;hydride
CID 174710414
2-[2-(3-bromophenyl)-4,7-dimethyl-1H-indol-3-yl]acetic acid
CID 4993473
1-bromo-3-(3-bromophenyl)-5-phenylbenzene
CID 90126090
4-methyl-5-phenyl-1H-pyrrol-2-ol
CID 20512198
5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole
CID 141116599
4-methyl-3,6-diphenyl-1H-pyridin-2-one
CID 621416
5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole
CID 102369143

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-methyl-5-phenyl-1H-pyrrole?
The IUPAC name of 2-(3-bromophenyl)-3-methyl-5-phenyl-1H-pyrrole (CID 177426378) is 2-(3-bromophenyl)-3-methyl-5-phenyl-1H-pyrrole.
What is the SMILES notation for 2-(3-bromophenyl)-3-methyl-5-phenyl-1H-pyrrole?
The canonical SMILES for 2-(3-bromophenyl)-3-methyl-5-phenyl-1H-pyrrole is Cc1cc(-c2ccccc2)[nH]c1-c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-methyl-5-phenyl-1H-pyrrole?
The InChIKey is ZTTYTEHIGPZDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN/c1-12-10-16(13-6-3-2-4-7-13)19-17(12)14-8-5-9-15(18)11-14/h2-11,19H,1H3.
What are the key properties of 2-(3-bromophenyl)-3-methyl-5-phenyl-1H-pyrrole?
2-(3-bromophenyl)-3-methyl-5-phenyl-1H-pyrrole has a molecular weight of 312.21 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-methyl-5-phenyl-1H-pyrrole is sourced from PubChem (CID 177426378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).