tri(pyrrol-1-yl)phosphane

C12H12N3P — CID 5256194

IUPACtri(pyrrol-1-yl)phosphane
SMILESc1ccn(P(n2cccc2)n2cccc2)c1
InChIInChI=1S/C12H12N3P/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15/h1-12H
InChIKeyQEILNSNBJVMEKR-UHFFFAOYSA-N
MW229.22 g/mol
LogP3.26
Rot. Bonds3

About tri(pyrrol-1-yl)phosphane

tri(pyrrol-1-yl)phosphane (PubChem CID 5256194) has the molecular formula C12H12N3P and a molecular weight of 229.22 g/mol. Its IUPAC name is tri(pyrrol-1-yl)phosphane.

Molecular Properties

Compound Nametri(pyrrol-1-yl)phosphane
PubChem CID5256194
Molecular FormulaC12H12N3P
Molecular Weight229.22 g/mol
Exact Mass229.08
IUPAC Nametri(pyrrol-1-yl)phosphane
SMILESc1ccn(P(n2cccc2)n2cccc2)c1
InChIInChI=1S/C12H12N3P/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15/h1-12H
InChIKeyQEILNSNBJVMEKR-UHFFFAOYSA-N
XLogP3.26
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tri(pyrrol-1-yl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tri(pyrrol-1-yl)phosphane?
The IUPAC name of tri(pyrrol-1-yl)phosphane (CID 5256194) is tri(pyrrol-1-yl)phosphane.
What is the SMILES notation for tri(pyrrol-1-yl)phosphane?
The canonical SMILES for tri(pyrrol-1-yl)phosphane is c1ccn(P(n2cccc2)n2cccc2)c1.
What is the InChIKey of tri(pyrrol-1-yl)phosphane?
The InChIKey is QEILNSNBJVMEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N3P/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15/h1-12H.
What are the key properties of tri(pyrrol-1-yl)phosphane?
tri(pyrrol-1-yl)phosphane has a molecular weight of 229.22 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(pyrrol-1-yl)phosphane is sourced from PubChem (CID 5256194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).