ruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride

C19H34Cl8P2Ru — CID 173147619

IUPACruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride
SMILESCCCCCCP(Cl)(Cl)(Cl)C(c1ccccc1)P(Cl)(Cl)(Cl)CCCCCC.Cl.Cl.[Ru]
InChIInChI=1S/C19H32Cl6P2.2ClH.Ru/c1-3-5-7-12-16-26(20,21,22)19(18-14-10-9-11-15-18)27(23,24,25)17-13-8-6-4-2;;;/h9-11,14-15,19H,3-8,12-13,16-17H2,1-2H3;2*1H;
InChIKeyOGZDUPRAKCITQZ-UHFFFAOYSA-N
MW709.12 g/mol
LogP12.72
Rot. Bonds13

About ruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride

ruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride (PubChem CID 173147619) has the molecular formula C19H34Cl8P2Ru and a molecular weight of 709.12 g/mol. Its IUPAC name is ruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride.

Molecular Properties

Compound Nameruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride
PubChem CID173147619
Molecular FormulaC19H34Cl8P2Ru
Molecular Weight709.12 g/mol
Exact Mass705.87
IUPAC Nameruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride
SMILESCCCCCCP(Cl)(Cl)(Cl)C(c1ccccc1)P(Cl)(Cl)(Cl)CCCCCC.Cl.Cl.[Ru]
InChIInChI=1S/C19H32Cl6P2.2ClH.Ru/c1-3-5-7-12-16-26(20,21,22)19(18-14-10-9-11-15-18)27(23,24,25)17-13-8-6-4-2;;;/h9-11,14-15,19H,3-8,12-13,16-17H2,1-2H3;2*1H;
InChIKeyOGZDUPRAKCITQZ-UHFFFAOYSA-N
XLogP12.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.12
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride 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

chloro-trioctyl-(1-phenylprop-2-enyl)-λ5-phosphane
CID 139768687
chloro-dioctadecyl-diphenyl-λ5-phosphane
CID 140527769
chloro-didodecyl-diphenyl-λ5-phosphane
CID 140527781
dibenzyl-chloro-diheptyl-λ5-phosphane
CID 140527552
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
1-(2-phenyltridecoxy)tridecan-2-ylbenzene
CID 175374761
benzyl-chloro-dimethyl-nonyl-λ5-phosphane
CID 140527849
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
didecoxymethylbenzene
CID 150039155
1-octoxypropan-2-ylbenzene
CID 77473849

Frequently Asked Questions

What is the IUPAC name of ruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride?
The IUPAC name of ruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride (CID 173147619) is ruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride.
What is the SMILES notation for ruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride?
The canonical SMILES for ruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride is CCCCCCP(Cl)(Cl)(Cl)C(c1ccccc1)P(Cl)(Cl)(Cl)CCCCCC.Cl.Cl.[Ru].
What is the InChIKey of ruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride?
The InChIKey is OGZDUPRAKCITQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32Cl6P2.2ClH.Ru/c1-3-5-7-12-16-26(20,21,22)19(18-14-10-9-11-15-18)27(23,24,25)17-13-8-6-4-2;;;/h9-11,14-15,19H,3-8,12-13,16-17H2,1-2H3;2*1H;.
What are the key properties of ruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride?
ruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride has a molecular weight of 709.12 g/mol, XLogP of 12.72, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride is sourced from PubChem (CID 173147619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).