chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane)

C37H32ClNO2P2Ru — CID 21271333

IUPACchlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane)
SMILESC=O.Cl[Ru+].[N-]=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.CH2O.ClH.NO.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;1-2;/h2*1-15H;1H2;1H;;/q;;;;-1;+2/p-1
InChIKeyVKMKQAQYJQJXHI-UHFFFAOYSA-M
MW721.14 g/mol
LogP7.71
Rot. Bonds6

About chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane)

chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane) (PubChem CID 21271333) has the molecular formula C37H32ClNO2P2Ru and a molecular weight of 721.14 g/mol. Its IUPAC name is chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane).

Molecular Properties

Compound Namechlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane)
PubChem CID21271333
Molecular FormulaC37H32ClNO2P2Ru
Molecular Weight721.14 g/mol
Exact Mass721.06
IUPAC Namechlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane)
SMILESC=O.Cl[Ru+].[N-]=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.CH2O.ClH.NO.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;1-2;/h2*1-15H;1H2;1H;;/q;;;;-1;+2/p-1
InChIKeyVKMKQAQYJQJXHI-UHFFFAOYSA-M
XLogP7.71
TPSA56.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.14
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chlororuthenium(1+);formaldehyde;tris(triphenylphosphane)
CID 21268968
cobalt;formaldehyde;triphenylphosphane
CID 173310038
nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane)
CID 173393317
formaldehyde;hydride;rhodium;tris(triphenylphosphane)
CID 53486328
formaldehyde;rhodium;bis(triphenylphosphane);chloride
CID 53486327
triphenylphosphane
CID 139056248
ethene;platinum;triphenylphosphane
CID 11071312
chlorosilver;triphenylphosphane
CID 12824775
chlorogold;triphenylphosphane
CID 10874691
CID 10963428
CID 10963428
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134

Frequently Asked Questions

What is the IUPAC name of chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane)?
The IUPAC name of chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane) (CID 21271333) is chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane).
What is the SMILES notation for chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane)?
The canonical SMILES for chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane) is C=O.Cl[Ru+].[N-]=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane)?
The InChIKey is VKMKQAQYJQJXHI-UHFFFAOYSA-M. The full InChI is InChI=1S/2C18H15P.CH2O.ClH.NO.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;1-2;/h2*1-15H;1H2;1H;;/q;;;;-1;+2/p-1.
What are the key properties of chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane)?
chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane) has a molecular weight of 721.14 g/mol, XLogP of 7.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane) is sourced from PubChem (CID 21271333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).