1,3-diphenylpyrrole

C16H13N — CID 5324091

IUPAC1,3-diphenylpyrrole
SMILESc1ccc(-c2ccn(-c3ccccc3)c2)cc1
InChIInChI=1S/C16H13N/c1-3-7-14(8-4-1)15-11-12-17(13-15)16-9-5-2-6-10-16/h1-13H
InChIKeyFNADOEOZHJKIQH-UHFFFAOYSA-N
MW219.29 g/mol
LogP4.14
Rot. Bonds2

About 1,3-diphenylpyrrole

1,3-diphenylpyrrole (PubChem CID 5324091) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 1,3-diphenylpyrrole.

Molecular Properties

Compound Name1,3-diphenylpyrrole
PubChem CID5324091
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name1,3-diphenylpyrrole
SMILESc1ccc(-c2ccn(-c3ccccc3)c2)cc1
InChIInChI=1S/C16H13N/c1-3-7-14(8-4-1)15-11-12-17(13-15)16-9-5-2-6-10-16/h1-13H
InChIKeyFNADOEOZHJKIQH-UHFFFAOYSA-N
XLogP4.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpyrrole?
The IUPAC name of 1,3-diphenylpyrrole (CID 5324091) is 1,3-diphenylpyrrole.
What is the SMILES notation for 1,3-diphenylpyrrole?
The canonical SMILES for 1,3-diphenylpyrrole is c1ccc(-c2ccn(-c3ccccc3)c2)cc1.
What is the InChIKey of 1,3-diphenylpyrrole?
The InChIKey is FNADOEOZHJKIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-3-7-14(8-4-1)15-11-12-17(13-15)16-9-5-2-6-10-16/h1-13H.
What are the key properties of 1,3-diphenylpyrrole?
1,3-diphenylpyrrole has a molecular weight of 219.29 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpyrrole is sourced from PubChem (CID 5324091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).