dichloroosmium;methanone;bis(triphenylphosphane)

C38H32Cl2O2OsP2-2 — CID 73456719

IUPACdichloroosmium;methanone;bis(triphenylphosphane)
SMILESCl[Os]Cl.[CH-]=O.[CH-]=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2CHO.2ClH.Os/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2;;;/h2*1-15H;2*1H;2*1H;/q;;2*-1;;;+2/p-2
InChIKeyNQAAYKPJONJRRI-UHFFFAOYSA-L
MW843.76 g/mol
LogP7.72
Rot. Bonds6

About dichloroosmium;methanone;bis(triphenylphosphane)

dichloroosmium;methanone;bis(triphenylphosphane) (PubChem CID 73456719) has the molecular formula C38H32Cl2O2OsP2-2 and a molecular weight of 843.76 g/mol. Its IUPAC name is dichloroosmium;methanone;bis(triphenylphosphane).

Molecular Properties

Compound Namedichloroosmium;methanone;bis(triphenylphosphane)
PubChem CID73456719
Molecular FormulaC38H32Cl2O2OsP2-2
Molecular Weight843.76 g/mol
Exact Mass844.09
IUPAC Namedichloroosmium;methanone;bis(triphenylphosphane)
SMILESCl[Os]Cl.[CH-]=O.[CH-]=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2CHO.2ClH.Os/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2;;;/h2*1-15H;2*1H;2*1H;/q;;2*-1;;;+2/p-2
InChIKeyNQAAYKPJONJRRI-UHFFFAOYSA-L
XLogP7.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.76
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triphenylphosphane
CID 139056248
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tris(triphenylphosphane);hydrobromide
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tris(triphenylphosphane);trihydrochloride
CID 173282987
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
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CID 139917776
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Frequently Asked Questions

What is the IUPAC name of dichloroosmium;methanone;bis(triphenylphosphane)?
The IUPAC name of dichloroosmium;methanone;bis(triphenylphosphane) (CID 73456719) is dichloroosmium;methanone;bis(triphenylphosphane).
What is the SMILES notation for dichloroosmium;methanone;bis(triphenylphosphane)?
The canonical SMILES for dichloroosmium;methanone;bis(triphenylphosphane) is Cl[Os]Cl.[CH-]=O.[CH-]=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichloroosmium;methanone;bis(triphenylphosphane)?
The InChIKey is NQAAYKPJONJRRI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.2CHO.2ClH.Os/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2;;;/h2*1-15H;2*1H;2*1H;/q;;2*-1;;;+2/p-2.
What are the key properties of dichloroosmium;methanone;bis(triphenylphosphane)?
dichloroosmium;methanone;bis(triphenylphosphane) has a molecular weight of 843.76 g/mol, XLogP of 7.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroosmium;methanone;bis(triphenylphosphane) is sourced from PubChem (CID 73456719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).