dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane

C42H39Cl2NOP2Ru — CID 11040094

IUPACdichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane
SMILESCC(C)[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1.Cl[Ru]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24NOP.C18H15P.2ClH.Ru/c1-18(2)22-17-26-24(25-22)21-15-9-10-16-23(21)27(19-11-5-3-6-12-19)20-13-7-4-8-14-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3-16,18,22H,17H2,1-2H3;1-15H;2*1H;/q;;;;+2/p-2/t22-;;;;/m1..../s1
InChIKeyDMGNAOPSGGGFNC-VTTXPQSASA-L
MW807.70 g/mol
LogP9.07
Rot. Bonds8

About dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane

dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane (PubChem CID 11040094) has the molecular formula C42H39Cl2NOP2Ru and a molecular weight of 807.70 g/mol. Its IUPAC name is dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane.

Molecular Properties

Compound Namedichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane
PubChem CID11040094
Molecular FormulaC42H39Cl2NOP2Ru
Molecular Weight807.70 g/mol
Exact Mass807.09
IUPAC Namedichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane
SMILESCC(C)[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1.Cl[Ru]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24NOP.C18H15P.2ClH.Ru/c1-18(2)22-17-26-24(25-22)21-15-9-10-16-23(21)27(19-11-5-3-6-12-19)20-13-7-4-8-14-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3-16,18,22H,17H2,1-2H3;1-15H;2*1H;/q;;;;+2/p-2/t22-;;;;/m1..../s1
InChIKeyDMGNAOPSGGGFNC-VTTXPQSASA-L
XLogP9.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.70
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane 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 dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane?
The IUPAC name of dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane (CID 11040094) is dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane.
What is the SMILES notation for dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane?
The canonical SMILES for dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane is CC(C)[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1.Cl[Ru]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane?
The InChIKey is DMGNAOPSGGGFNC-VTTXPQSASA-L. The full InChI is InChI=1S/C24H24NOP.C18H15P.2ClH.Ru/c1-18(2)22-17-26-24(25-22)21-15-9-10-16-23(21)27(19-11-5-3-6-12-19)20-13-7-4-8-14-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3-16,18,22H,17H2,1-2H3;1-15H;2*1H;/q;;;;+2/p-2/t22-;;;;/m1..../s1.
What are the key properties of dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane?
dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane has a molecular weight of 807.70 g/mol, XLogP of 9.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane is sourced from PubChem (CID 11040094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).