1-methyl-2,5-diphenylpyrrole

C17H15N — CID 5091117

IUPAC1-methyl-2,5-diphenylpyrrole
SMILESCn1c(-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C17H15N/c1-18-16(14-8-4-2-5-9-14)12-13-17(18)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyCNXLEHWIVPHGNP-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.36
Rot. Bonds2

About 1-methyl-2,5-diphenylpyrrole

1-methyl-2,5-diphenylpyrrole (PubChem CID 5091117) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-methyl-2,5-diphenylpyrrole.

Molecular Properties

Compound Name1-methyl-2,5-diphenylpyrrole
PubChem CID5091117
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name1-methyl-2,5-diphenylpyrrole
SMILESCn1c(-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C17H15N/c1-18-16(14-8-4-2-5-9-14)12-13-17(18)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyCNXLEHWIVPHGNP-UHFFFAOYSA-N
XLogP4.36
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-2,5-diphenylpyrrole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5-diphenylpyrrole?
The IUPAC name of 1-methyl-2,5-diphenylpyrrole (CID 5091117) is 1-methyl-2,5-diphenylpyrrole.
What is the SMILES notation for 1-methyl-2,5-diphenylpyrrole?
The canonical SMILES for 1-methyl-2,5-diphenylpyrrole is Cn1c(-c2ccccc2)ccc1-c1ccccc1.
What is the InChIKey of 1-methyl-2,5-diphenylpyrrole?
The InChIKey is CNXLEHWIVPHGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-18-16(14-8-4-2-5-9-14)12-13-17(18)15-10-6-3-7-11-15/h2-13H,1H3.
What are the key properties of 1-methyl-2,5-diphenylpyrrole?
1-methyl-2,5-diphenylpyrrole has a molecular weight of 233.31 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5-diphenylpyrrole is sourced from PubChem (CID 5091117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).