formaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride

C43H44Cl4O7P2Ru — CID 23462594

IUPACformaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride
SMILESC=O.Cc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.Cc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+4]
InChIInChI=1S/2C21H21O3P.CH2O.4ClH.Ru/c2*1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21;1-2;;;;;/h2*4-15H,1-3H3;1H2;4*1H;/q;;;;;;;+4/p-4
InChIKeyNRWYCXJVVKBVHM-UHFFFAOYSA-J
MW977.65 g/mol
LogP0.58
Rot. Bonds12

About formaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride

formaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride (PubChem CID 23462594) has the molecular formula C43H44Cl4O7P2Ru and a molecular weight of 977.65 g/mol. Its IUPAC name is formaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride.

Molecular Properties

Compound Nameformaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride
PubChem CID23462594
Molecular FormulaC43H44Cl4O7P2Ru
Molecular Weight977.65 g/mol
Exact Mass976.04
IUPAC Nameformaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride
SMILESC=O.Cc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.Cc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+4]
InChIInChI=1S/2C21H21O3P.CH2O.4ClH.Ru/c2*1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21;1-2;;;;;/h2*4-15H,1-3H3;1H2;4*1H;/q;;;;;;;+4/p-4
InChIKeyNRWYCXJVVKBVHM-UHFFFAOYSA-J
XLogP0.58
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500977.65
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze formaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride 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 formaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride?
The IUPAC name of formaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride (CID 23462594) is formaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride.
What is the SMILES notation for formaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride?
The canonical SMILES for formaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride is C=O.Cc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.Cc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+4].
What is the InChIKey of formaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride?
The InChIKey is NRWYCXJVVKBVHM-UHFFFAOYSA-J. The full InChI is InChI=1S/2C21H21O3P.CH2O.4ClH.Ru/c2*1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21;1-2;;;;;/h2*4-15H,1-3H3;1H2;4*1H;/q;;;;;;;+4/p-4.
What are the key properties of formaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride?
formaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride has a molecular weight of 977.65 g/mol, XLogP of 0.58, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride is sourced from PubChem (CID 23462594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).