dilithium;2-oxido-10-(2-oxido-2-oxo-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinin-10-yl)-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinine 2-oxide

C46H30Li2O8P2 — CID 102083372

About dilithium;2-oxido-10-(2-oxido-2-oxo-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinin-10-yl)-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinine 2-oxide

dilithium;2-oxido-10-(2-oxido-2-oxo-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinin-10-yl)-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinine 2-oxide (PubChem CID 102083372) has the molecular formula C46H30Li2O8P2 and a molecular weight of 786.57 g/mol. Its IUPAC name is dilithium;2-oxido-10-(2-oxido-2-oxo-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinin-10-yl)-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinine 2-oxide.

Molecular Properties

• Compound Name: dilithium;2-oxido-10-(2-oxido-2-oxo-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinin-10-yl)-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinine 2-oxide
• PubChem CID: 102083372
• Molecular Formula: C46H30Li2O8P2
• Molecular Weight: 786.57 g/mol
• Exact Mass: 786.17
• IUPAC Name: dilithium;2-oxido-10-(2-oxido-2-oxo-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinin-10-yl)-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinine 2-oxide
• SMILES: O=P1([O-])Oc2c(cc3ccccc3c2-c2c3c(cc4ccccc24)C(c2ccccc2)(c2ccccc2)OP(=O)([O-])O3)C(c2ccccc2)(c2ccccc2)O1.[Li+].[Li+]
• InChI: InChI=1S/C46H32O8P2.2Li/c47-55(48)51-43-39(45(53-55,33-19-5-1-6-20-33)34-21-7-2-8-22-34)29-31-17-13-15-27-37(31)41(43)42-38-28-16-14-18-32(38)30-40-44(42)52-56(49,50)54-46(40,35-23-9-3-10-24-35)36-25-11-4-12-26-36;;/h1-30H,(H,47,48)(H,49,50);;/q;2*+1/p-2
• InChIKey: HDZNBGFPLFORDK-UHFFFAOYSA-L
• XLogP: 4.01
• TPSA: 117.18 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	786.57
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dilithium;2-oxido-10-(2-oxido-2-oxo-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinin-10-yl)-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinine 2-oxide?

The IUPAC name of dilithium;2-oxido-10-(2-oxido-2-oxo-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinin-10-yl)-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinine 2-oxide (CID 102083372) is dilithium;2-oxido-10-(2-oxido-2-oxo-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinin-10-yl)-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinine 2-oxide.

What is the SMILES notation for dilithium;2-oxido-10-(2-oxido-2-oxo-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinin-10-yl)-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinine 2-oxide?

The canonical SMILES for dilithium;2-oxido-10-(2-oxido-2-oxo-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinin-10-yl)-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinine 2-oxide is O=P1([O-])Oc2c(cc3ccccc3c2-c2c3c(cc4ccccc24)C(c2ccccc2)(c2ccccc2)OP(=O)([O-])O3)C(c2ccccc2)(c2ccccc2)O1.[Li+].[Li+].

What is the InChIKey of dilithium;2-oxido-10-(2-oxido-2-oxo-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinin-10-yl)-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinine 2-oxide?

The InChIKey is HDZNBGFPLFORDK-UHFFFAOYSA-L. The full InChI is InChI=1S/C46H32O8P2.2Li/c47-55(48)51-43-39(45(53-55,33-19-5-1-6-20-33)34-21-7-2-8-22-34)29-31-17-13-15-27-37(31)41(43)42-38-28-16-14-18-32(38)30-40-44(42)52-56(49,50)54-46(40,35-23-9-3-10-24-35)36-25-11-4-12-26-36;;/h1-30H,(H,47,48)(H,49,50);;/q;2*+1/p-2.

What are the key properties of dilithium;2-oxido-10-(2-oxido-2-oxo-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinin-10-yl)-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinine 2-oxide?

dilithium;2-oxido-10-(2-oxido-2-oxo-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinin-10-yl)-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinine 2-oxide has a molecular weight of 786.57 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for dilithium;2-oxido-10-(2-oxido-2-oxo-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinin-10-yl)-4,4-diphenylbenzo[g][1,3,2]benzodioxaphosphinine 2-oxide is sourced from PubChem (CID 102083372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).