2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine

C26H20N2P2 — CID 13212319

IUPAC2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine
SMILESc1ccc(N=C2P(c3ccccc3)C(=Nc3ccccc3)P2c2ccccc2)cc1
InChIInChI=1S/C26H20N2P2/c1-5-13-21(14-6-1)27-25-29(23-17-9-3-10-18-23)26(28-22-15-7-2-8-16-22)30(25)24-19-11-4-12-20-24/h1-20H/b27-25-,28-26+
InChIKeyBIUXQDMVZZKQCH-ZQZMJUSDSA-N
MW422.41 g/mol
LogP6.99
Rot. Bonds4

About 2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine

2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine (PubChem CID 13212319) has the molecular formula C26H20N2P2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine.

Molecular Properties

Compound Name2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine
PubChem CID13212319
Molecular FormulaC26H20N2P2
Molecular Weight422.41 g/mol
Exact Mass422.11
IUPAC Name2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine
SMILESc1ccc(N=C2P(c3ccccc3)C(=Nc3ccccc3)P2c2ccccc2)cc1
InChIInChI=1S/C26H20N2P2/c1-5-13-21(14-6-1)27-25-29(23-17-9-3-10-18-23)26(28-22-15-7-2-8-16-22)30(25)24-19-11-4-12-20-24/h1-20H/b27-25-,28-26+
InChIKeyBIUXQDMVZZKQCH-ZQZMJUSDSA-N
XLogP6.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine 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 2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine?
The IUPAC name of 2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine (CID 13212319) is 2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine.
What is the SMILES notation for 2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine?
The canonical SMILES for 2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine is c1ccc(N=C2P(c3ccccc3)C(=Nc3ccccc3)P2c2ccccc2)cc1.
What is the InChIKey of 2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine?
The InChIKey is BIUXQDMVZZKQCH-ZQZMJUSDSA-N. The full InChI is InChI=1S/C26H20N2P2/c1-5-13-21(14-6-1)27-25-29(23-17-9-3-10-18-23)26(28-22-15-7-2-8-16-22)30(25)24-19-11-4-12-20-24/h1-20H/b27-25-,28-26+.
What are the key properties of 2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine?
2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine has a molecular weight of 422.41 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,1,3-tetraphenyl-1,3-diphosphetane-2,4-diimine is sourced from PubChem (CID 13212319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).