2-benzyl-4-phenyl-1H-pyrrole

C17H15N — CID 44718285

IUPAC2-benzyl-4-phenyl-1H-pyrrole
SMILESc1ccc(Cc2cc(-c3ccccc3)c[nH]2)cc1
InChIInChI=1S/C17H15N/c1-3-7-14(8-4-1)11-17-12-16(13-18-17)15-9-5-2-6-10-15/h1-10,12-13,18H,11H2
InChIKeyNJJUFAYQJMTHEW-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.27
Rot. Bonds3

About 2-benzyl-4-phenyl-1H-pyrrole

2-benzyl-4-phenyl-1H-pyrrole (PubChem CID 44718285) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-benzyl-4-phenyl-1H-pyrrole.

Molecular Properties

Compound Name2-benzyl-4-phenyl-1H-pyrrole
PubChem CID44718285
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name2-benzyl-4-phenyl-1H-pyrrole
SMILESc1ccc(Cc2cc(-c3ccccc3)c[nH]2)cc1
InChIInChI=1S/C17H15N/c1-3-7-14(8-4-1)11-17-12-16(13-18-17)15-9-5-2-6-10-15/h1-10,12-13,18H,11H2
InChIKeyNJJUFAYQJMTHEW-UHFFFAOYSA-N
XLogP4.27
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(4-phenyl-1H-pyrrol-2-yl)methanamine
CID 70397534
5-benzyl-3-bromo-1H-pyrazole
CID 151400606
5-benzyl-3-(3-fluorophenyl)-1H-pyrazole
CID 90699274
1,4-bis(3-benzylphenyl)benzene
CID 175442136
1,4-bis(4-benzylphenyl)benzene
CID 58251041
2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole
CID 150383648
phenyl(113C)methylbenzene
CID 11194569
1,1'-biphenyl;phenylmethanethiol
CID 172707526
benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene
CID 160824127
benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
benzylbenzene;1,1'-biphenyl;ethane;methane;naphthalene
CID 160690340
benzene;tris(1,1'-biphenyl)
CID 162155747

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-phenyl-1H-pyrrole?
The IUPAC name of 2-benzyl-4-phenyl-1H-pyrrole (CID 44718285) is 2-benzyl-4-phenyl-1H-pyrrole.
What is the SMILES notation for 2-benzyl-4-phenyl-1H-pyrrole?
The canonical SMILES for 2-benzyl-4-phenyl-1H-pyrrole is c1ccc(Cc2cc(-c3ccccc3)c[nH]2)cc1.
What is the InChIKey of 2-benzyl-4-phenyl-1H-pyrrole?
The InChIKey is NJJUFAYQJMTHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-3-7-14(8-4-1)11-17-12-16(13-18-17)15-9-5-2-6-10-15/h1-10,12-13,18H,11H2.
What are the key properties of 2-benzyl-4-phenyl-1H-pyrrole?
2-benzyl-4-phenyl-1H-pyrrole has a molecular weight of 233.31 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-phenyl-1H-pyrrole is sourced from PubChem (CID 44718285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).