chlororuthenium(1+);formaldehyde;tris(triphenylphosphane)

C55H47ClOP3Ru+ — CID 21268968

IUPACchlororuthenium(1+);formaldehyde;tris(triphenylphosphane)
SMILESC=O.Cl[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.CH2O.ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h3*1-15H;1H2;1H;/q;;;;;+2/p-1
InChIKeyFDMJSIXQAKCWDS-UHFFFAOYSA-M
MW953.43 g/mol
LogP10.84
Rot. Bonds9

About chlororuthenium(1+);formaldehyde;tris(triphenylphosphane)

chlororuthenium(1+);formaldehyde;tris(triphenylphosphane) (PubChem CID 21268968) has the molecular formula C55H47ClOP3Ru+ and a molecular weight of 953.43 g/mol. Its IUPAC name is chlororuthenium(1+);formaldehyde;tris(triphenylphosphane).

Molecular Properties

Compound Namechlororuthenium(1+);formaldehyde;tris(triphenylphosphane)
PubChem CID21268968
Molecular FormulaC55H47ClOP3Ru+
Molecular Weight953.43 g/mol
Exact Mass953.16
IUPAC Namechlororuthenium(1+);formaldehyde;tris(triphenylphosphane)
SMILESC=O.Cl[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.CH2O.ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h3*1-15H;1H2;1H;/q;;;;;+2/p-1
InChIKeyFDMJSIXQAKCWDS-UHFFFAOYSA-M
XLogP10.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.43
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane)
CID 21271333
cobalt;formaldehyde;triphenylphosphane
CID 173310038
formaldehyde;rhodium;bis(triphenylphosphane);chloride
CID 53486327
formaldehyde;hydride;rhodium;tris(triphenylphosphane)
CID 53486328
triphenylphosphane
CID 139056248
chlorogold;triphenylphosphane
CID 10874691
ethene;platinum;triphenylphosphane
CID 11071312
chlorosilver;triphenylphosphane
CID 12824775
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987

Frequently Asked Questions

What is the IUPAC name of chlororuthenium(1+);formaldehyde;tris(triphenylphosphane)?
The IUPAC name of chlororuthenium(1+);formaldehyde;tris(triphenylphosphane) (CID 21268968) is chlororuthenium(1+);formaldehyde;tris(triphenylphosphane).
What is the SMILES notation for chlororuthenium(1+);formaldehyde;tris(triphenylphosphane)?
The canonical SMILES for chlororuthenium(1+);formaldehyde;tris(triphenylphosphane) is C=O.Cl[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of chlororuthenium(1+);formaldehyde;tris(triphenylphosphane)?
The InChIKey is FDMJSIXQAKCWDS-UHFFFAOYSA-M. The full InChI is InChI=1S/3C18H15P.CH2O.ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h3*1-15H;1H2;1H;/q;;;;;+2/p-1.
What are the key properties of chlororuthenium(1+);formaldehyde;tris(triphenylphosphane)?
chlororuthenium(1+);formaldehyde;tris(triphenylphosphane) has a molecular weight of 953.43 g/mol, XLogP of 10.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium(1+);formaldehyde;tris(triphenylphosphane) is sourced from PubChem (CID 21268968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).