5-methyl-2,3-diphenyl-1H-pyrrole

C17H15N — CID 19784711

IUPAC5-methyl-2,3-diphenyl-1H-pyrrole
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C17H15N/c1-13-12-16(14-8-4-2-5-9-14)17(18-13)15-10-6-3-7-11-15/h2-12,18H,1H3
InChIKeyIJZPUNJYBSHEJK-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.66
Rot. Bonds2

About 5-methyl-2,3-diphenyl-1H-pyrrole

5-methyl-2,3-diphenyl-1H-pyrrole (PubChem CID 19784711) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-methyl-2,3-diphenyl-1H-pyrrole.

Molecular Properties

Compound Name5-methyl-2,3-diphenyl-1H-pyrrole
PubChem CID19784711
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name5-methyl-2,3-diphenyl-1H-pyrrole
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C17H15N/c1-13-12-16(14-8-4-2-5-9-14)17(18-13)15-10-6-3-7-11-15/h2-12,18H,1H3
InChIKeyIJZPUNJYBSHEJK-UHFFFAOYSA-N
XLogP4.66
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-diphenyl-1H-pyrrole?
The IUPAC name of 5-methyl-2,3-diphenyl-1H-pyrrole (CID 19784711) is 5-methyl-2,3-diphenyl-1H-pyrrole.
What is the SMILES notation for 5-methyl-2,3-diphenyl-1H-pyrrole?
The canonical SMILES for 5-methyl-2,3-diphenyl-1H-pyrrole is Cc1cc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 5-methyl-2,3-diphenyl-1H-pyrrole?
The InChIKey is IJZPUNJYBSHEJK-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/h2-12,18H,1H3.
What are the key properties of 5-methyl-2,3-diphenyl-1H-pyrrole?
5-methyl-2,3-diphenyl-1H-pyrrole has a molecular weight of 233.31 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-diphenyl-1H-pyrrole is sourced from PubChem (CID 19784711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).