3,4-diphenyl-2H-pyrrole

C16H13N — CID 155803988

IUPAC3,4-diphenyl-2H-pyrrole
SMILESC1=NCC(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C16H13N/c1-3-7-13(8-4-1)15-11-17-12-16(15)14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyYOUJAUWHFQGUJA-UHFFFAOYSA-N
MW219.29 g/mol
LogP3.68
Rot. Bonds2

About 3,4-diphenyl-2H-pyrrole

3,4-diphenyl-2H-pyrrole (PubChem CID 155803988) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 3,4-diphenyl-2H-pyrrole.

Molecular Properties

Compound Name3,4-diphenyl-2H-pyrrole
PubChem CID155803988
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name3,4-diphenyl-2H-pyrrole
SMILESC1=NCC(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C16H13N/c1-3-7-13(8-4-1)15-11-17-12-16(15)14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyYOUJAUWHFQGUJA-UHFFFAOYSA-N
XLogP3.68
TPSA12.36 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 ≤ 53.68
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 3,4-diphenyl-2H-pyrrole?
The IUPAC name of 3,4-diphenyl-2H-pyrrole (CID 155803988) is 3,4-diphenyl-2H-pyrrole.
What is the SMILES notation for 3,4-diphenyl-2H-pyrrole?
The canonical SMILES for 3,4-diphenyl-2H-pyrrole is C1=NCC(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 3,4-diphenyl-2H-pyrrole?
The InChIKey is YOUJAUWHFQGUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-3-7-13(8-4-1)15-11-17-12-16(15)14-9-5-2-6-10-14/h1-11H,12H2.
What are the key properties of 3,4-diphenyl-2H-pyrrole?
3,4-diphenyl-2H-pyrrole has a molecular weight of 219.29 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-2H-pyrrole is sourced from PubChem (CID 155803988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).