2,4,5-triphenyl-3H-pyrrole

C22H17N — CID 143156770

IUPAC2,4,5-triphenyl-3H-pyrrole
SMILESc1ccc(C2=NC(c3ccccc3)=C(c3ccccc3)C2)cc1
InChIInChI=1S/C22H17N/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyGJNQZMMYZCESGJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP5.45
Rot. Bonds3

About 2,4,5-triphenyl-3H-pyrrole

2,4,5-triphenyl-3H-pyrrole (PubChem CID 143156770) has the molecular formula C22H17N and a molecular weight of 295.39 g/mol. Its IUPAC name is 2,4,5-triphenyl-3H-pyrrole.

Molecular Properties

Compound Name2,4,5-triphenyl-3H-pyrrole
PubChem CID143156770
Molecular FormulaC22H17N
Molecular Weight295.39 g/mol
Exact Mass295.14
IUPAC Name2,4,5-triphenyl-3H-pyrrole
SMILESc1ccc(C2=NC(c3ccccc3)=C(c3ccccc3)C2)cc1
InChIInChI=1S/C22H17N/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyGJNQZMMYZCESGJ-UHFFFAOYSA-N
XLogP5.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.39
LogP ≤ 55.45
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 2,4,5-triphenyl-3H-pyrrole?
The IUPAC name of 2,4,5-triphenyl-3H-pyrrole (CID 143156770) is 2,4,5-triphenyl-3H-pyrrole.
What is the SMILES notation for 2,4,5-triphenyl-3H-pyrrole?
The canonical SMILES for 2,4,5-triphenyl-3H-pyrrole is c1ccc(C2=NC(c3ccccc3)=C(c3ccccc3)C2)cc1.
What is the InChIKey of 2,4,5-triphenyl-3H-pyrrole?
The InChIKey is GJNQZMMYZCESGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of 2,4,5-triphenyl-3H-pyrrole?
2,4,5-triphenyl-3H-pyrrole has a molecular weight of 295.39 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-triphenyl-3H-pyrrole is sourced from PubChem (CID 143156770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).