2-methyl-4,5-diphenyl-3H-pyrrole

C17H15N — CID 59486548

IUPAC2-methyl-4,5-diphenyl-3H-pyrrole
SMILESCC1=NC(c2ccccc2)=C(c2ccccc2)C1
InChIInChI=1S/C17H15N/c1-13-12-16(14-8-4-2-5-9-14)17(18-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyOSTWGNDGPXPRQB-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.42
Rot. Bonds2

About 2-methyl-4,5-diphenyl-3H-pyrrole

2-methyl-4,5-diphenyl-3H-pyrrole (PubChem CID 59486548) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-4,5-diphenyl-3H-pyrrole.

Molecular Properties

Compound Name2-methyl-4,5-diphenyl-3H-pyrrole
PubChem CID59486548
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name2-methyl-4,5-diphenyl-3H-pyrrole
SMILESCC1=NC(c2ccccc2)=C(c2ccccc2)C1
InChIInChI=1S/C17H15N/c1-13-12-16(14-8-4-2-5-9-14)17(18-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyOSTWGNDGPXPRQB-UHFFFAOYSA-N
XLogP4.42
TPSA12.36 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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-diphenyl-3H-pyrrole?
The IUPAC name of 2-methyl-4,5-diphenyl-3H-pyrrole (CID 59486548) is 2-methyl-4,5-diphenyl-3H-pyrrole.
What is the SMILES notation for 2-methyl-4,5-diphenyl-3H-pyrrole?
The canonical SMILES for 2-methyl-4,5-diphenyl-3H-pyrrole is CC1=NC(c2ccccc2)=C(c2ccccc2)C1.
What is the InChIKey of 2-methyl-4,5-diphenyl-3H-pyrrole?
The InChIKey is OSTWGNDGPXPRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-13-12-16(14-8-4-2-5-9-14)17(18-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3.
What are the key properties of 2-methyl-4,5-diphenyl-3H-pyrrole?
2-methyl-4,5-diphenyl-3H-pyrrole has a molecular weight of 233.31 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-diphenyl-3H-pyrrole is sourced from PubChem (CID 59486548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).