1,2,5-tribenzylpyrrole

C25H23N — CID 15072584

IUPAC1,2,5-tribenzylpyrrole
SMILESc1ccc(Cc2ccc(Cc3ccccc3)n2Cc2ccccc2)cc1
InChIInChI=1S/C25H23N/c1-4-10-21(11-5-1)18-24-16-17-25(19-22-12-6-2-7-13-22)26(24)20-23-14-8-3-9-15-23/h1-17H,18-20H2
InChIKeyRGLBGWYXPYEOIP-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.72
Rot. Bonds6

About 1,2,5-tribenzylpyrrole

1,2,5-tribenzylpyrrole (PubChem CID 15072584) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is 1,2,5-tribenzylpyrrole.

Molecular Properties

Compound Name1,2,5-tribenzylpyrrole
PubChem CID15072584
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name1,2,5-tribenzylpyrrole
SMILESc1ccc(Cc2ccc(Cc3ccccc3)n2Cc2ccccc2)cc1
InChIInChI=1S/C25H23N/c1-4-10-21(11-5-1)18-24-16-17-25(19-22-12-6-2-7-13-22)26(24)20-23-14-8-3-9-15-23/h1-17H,18-20H2
InChIKeyRGLBGWYXPYEOIP-UHFFFAOYSA-N
XLogP5.72
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_N(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-tribenzylpyrrole?
The IUPAC name of 1,2,5-tribenzylpyrrole (CID 15072584) is 1,2,5-tribenzylpyrrole.
What is the SMILES notation for 1,2,5-tribenzylpyrrole?
The canonical SMILES for 1,2,5-tribenzylpyrrole is c1ccc(Cc2ccc(Cc3ccccc3)n2Cc2ccccc2)cc1.
What is the InChIKey of 1,2,5-tribenzylpyrrole?
The InChIKey is RGLBGWYXPYEOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N/c1-4-10-21(11-5-1)18-24-16-17-25(19-22-12-6-2-7-13-22)26(24)20-23-14-8-3-9-15-23/h1-17H,18-20H2.
What are the key properties of 1,2,5-tribenzylpyrrole?
1,2,5-tribenzylpyrrole has a molecular weight of 337.47 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-tribenzylpyrrole is sourced from PubChem (CID 15072584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).