bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride

C80H78Cl10N2O8P4Ru4+2 — CID 175687646

About bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride

bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride (PubChem CID 175687646) has the molecular formula C80H78Cl10N2O8P4Ru4+2 and a molecular weight of 2078.22 g/mol. Its IUPAC name is bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride.

Molecular Properties

• Compound Name: bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride
• PubChem CID: 175687646
• Molecular Formula: C80H78Cl10N2O8P4Ru4+2
• Molecular Weight: 2078.22 g/mol
• Exact Mass: 2075.78
• IUPAC Name: bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride
• SMILES: CNC.CNC.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.[Cl-].[Cl-].[Ru+2].[Ru+2].[Ru].[Ru].c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1.c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1
• InChI: InChI=1S/2C38H28O4P2.2C2H7N.10ClH.4Ru/c2*1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;2*1-3-2;;;;;;;;;;;;;;/h2*1-24H,25-26H2;2*3H,1-2H3;10*1H;;;;/q;;;;;;;;;;;;;;;;2*+2/p-2
• InChIKey: JYVCLFCTMHRLHD-UHFFFAOYSA-L
• XLogP: 9.70
• TPSA: 97.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2078.22
LogP ≤ 5	9.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride?

The IUPAC name of bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride (CID 175687646) is bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride.

What is the SMILES notation for bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride?

The canonical SMILES for bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride is CNC.CNC.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.[Cl-].[Cl-].[Ru+2].[Ru+2].[Ru].[Ru].c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1.c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1.

What is the InChIKey of bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride?

The InChIKey is JYVCLFCTMHRLHD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C38H28O4P2.2C2H7N.10ClH.4Ru/c2*1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;2*1-3-2;;;;;;;;;;;;;;/h2*1-24H,25-26H2;2*3H,1-2H3;10*1H;;;;/q;;;;;;;;;;;;;;;;2*+2/p-2.

What are the key properties of bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride?

bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride has a molecular weight of 2078.22 g/mol, XLogP of 9.70, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride is sourced from PubChem (CID 175687646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).