(4,6-diphenyl-1,3,5-triazin-2-yl)-diphenylphosphane

C27H20N3P — CID 132992263

IUPAC(4,6-diphenyl-1,3,5-triazin-2-yl)-diphenylphosphane
SMILESc1ccc(-c2nc(-c3ccccc3)nc(P(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C27H20N3P/c1-5-13-21(14-6-1)25-28-26(22-15-7-2-8-16-22)30-27(29-25)31(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyQSZLEKFHUAOJNF-UHFFFAOYSA-N
MW417.45 g/mol
LogP4.96
Rot. Bonds5

About (4,6-diphenyl-1,3,5-triazin-2-yl)-diphenylphosphane

(4,6-diphenyl-1,3,5-triazin-2-yl)-diphenylphosphane (PubChem CID 132992263) has the molecular formula C27H20N3P and a molecular weight of 417.45 g/mol. Its IUPAC name is (4,6-diphenyl-1,3,5-triazin-2-yl)-diphenylphosphane.

Molecular Properties

Compound Name(4,6-diphenyl-1,3,5-triazin-2-yl)-diphenylphosphane
PubChem CID132992263
Molecular FormulaC27H20N3P
Molecular Weight417.45 g/mol
Exact Mass417.14
IUPAC Name(4,6-diphenyl-1,3,5-triazin-2-yl)-diphenylphosphane
SMILESc1ccc(-c2nc(-c3ccccc3)nc(P(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C27H20N3P/c1-5-13-21(14-6-1)25-28-26(22-15-7-2-8-16-22)30-27(29-25)31(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyQSZLEKFHUAOJNF-UHFFFAOYSA-N
XLogP4.96
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,6-diphenyl-1,3,5-triazin-2-yl)-diphenylphosphane?
The IUPAC name of (4,6-diphenyl-1,3,5-triazin-2-yl)-diphenylphosphane (CID 132992263) is (4,6-diphenyl-1,3,5-triazin-2-yl)-diphenylphosphane.
What is the SMILES notation for (4,6-diphenyl-1,3,5-triazin-2-yl)-diphenylphosphane?
The canonical SMILES for (4,6-diphenyl-1,3,5-triazin-2-yl)-diphenylphosphane is c1ccc(-c2nc(-c3ccccc3)nc(P(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of (4,6-diphenyl-1,3,5-triazin-2-yl)-diphenylphosphane?
The InChIKey is QSZLEKFHUAOJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N3P/c1-5-13-21(14-6-1)25-28-26(22-15-7-2-8-16-22)30-27(29-25)31(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of (4,6-diphenyl-1,3,5-triazin-2-yl)-diphenylphosphane?
(4,6-diphenyl-1,3,5-triazin-2-yl)-diphenylphosphane has a molecular weight of 417.45 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diphenyl-1,3,5-triazin-2-yl)-diphenylphosphane is sourced from PubChem (CID 132992263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).