dimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride

C78H64Cl5NO8P4Ru2 — CID 91972113

IUPACdimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride
SMILESC[NH2+]C.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2].c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1.c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1
InChIInChI=1S/2C38H28O4P2.C2H7N.5ClH.2Ru/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;1-3-2;;;;;;;/h2*1-24H,25-26H2;3H,1-2H3;5*1H;;/q;;;;;;;;2*+2/p-4
InChIKeyRSZXAODKXNGMHV-UHFFFAOYSA-J
MW1646.67 g/mol
LogP-3.52
Rot. Bonds14

About dimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride

dimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride (PubChem CID 91972113) has the molecular formula C78H64Cl5NO8P4Ru2 and a molecular weight of 1646.67 g/mol. Its IUPAC name is dimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride.

Molecular Properties

Compound Namedimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride
PubChem CID91972113
Molecular FormulaC78H64Cl5NO8P4Ru2
Molecular Weight1646.67 g/mol
Exact Mass1645.01
IUPAC Namedimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride
SMILESC[NH2+]C.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2].c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1.c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1
InChIInChI=1S/2C38H28O4P2.C2H7N.5ClH.2Ru/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;1-3-2;;;;;;;/h2*1-24H,25-26H2;3H,1-2H3;5*1H;;/q;;;;;;;;2*+2/p-4
InChIKeyRSZXAODKXNGMHV-UHFFFAOYSA-J
XLogP-3.52
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms98
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001646.67
LogP ≤ 5-3.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride 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 dimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride?
The IUPAC name of dimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride (CID 91972113) is dimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride.
What is the SMILES notation for dimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride?
The canonical SMILES for dimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride is C[NH2+]C.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2].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 dimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride?
The InChIKey is RSZXAODKXNGMHV-UHFFFAOYSA-J. The full InChI is InChI=1S/2C38H28O4P2.C2H7N.5ClH.2Ru/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;1-3-2;;;;;;;/h2*1-24H,25-26H2;3H,1-2H3;5*1H;;/q;;;;;;;;2*+2/p-4.
What are the key properties of dimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride?
dimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride has a molecular weight of 1646.67 g/mol, XLogP of -3.52, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride is sourced from PubChem (CID 91972113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).