benzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride

C36H62Cl2N2O7PRuSi2+ — CID 158106028

IUPACbenzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CN1C=CN(Cc2ccc([Si](O)(O)O)cc2)[CH-]1.CO[Si](O)(O)O.Cl.Cl[Ru+].c1ccccc1
InChIInChI=1S/C18H33P.C11H15N2O3Si.C6H6.CH6O4Si.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12-6-7-13(9-12)8-10-2-4-11(5-3-10)17(14,15)16;1-2-4-6-5-3-1;1-5-6(2,3)4;;;/h16-18H,1-15H2;2-7,9,14-16H,8H2,1H3;1-6H;2-4H,1H3;2*1H;/q;-1;;;;;+2
InChIKeyOPBLFKWRGMULNT-UHFFFAOYSA-N
MW894.02 g/mol
LogP6.19
Rot. Bonds7

About benzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride

benzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride (PubChem CID 158106028) has the molecular formula C36H62Cl2N2O7PRuSi2+ and a molecular weight of 894.02 g/mol. Its IUPAC name is benzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride.

Molecular Properties

Compound Namebenzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride
PubChem CID158106028
Molecular FormulaC36H62Cl2N2O7PRuSi2+
Molecular Weight894.02 g/mol
Exact Mass893.22
IUPAC Namebenzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CN1C=CN(Cc2ccc([Si](O)(O)O)cc2)[CH-]1.CO[Si](O)(O)O.Cl.Cl[Ru+].c1ccccc1
InChIInChI=1S/C18H33P.C11H15N2O3Si.C6H6.CH6O4Si.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12-6-7-13(9-12)8-10-2-4-11(5-3-10)17(14,15)16;1-2-4-6-5-3-1;1-5-6(2,3)4;;;/h16-18H,1-15H2;2-7,9,14-16H,8H2,1H3;1-6H;2-4H,1H3;2*1H;/q;-1;;;;;+2
InChIKeyOPBLFKWRGMULNT-UHFFFAOYSA-N
XLogP6.19
TPSA137.09 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500894.02
LogP ≤ 56.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride?
The IUPAC name of benzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride (CID 158106028) is benzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride.
What is the SMILES notation for benzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride?
The canonical SMILES for benzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CN1C=CN(Cc2ccc([Si](O)(O)O)cc2)[CH-]1.CO[Si](O)(O)O.Cl.Cl[Ru+].c1ccccc1.
What is the InChIKey of benzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride?
The InChIKey is OPBLFKWRGMULNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33P.C11H15N2O3Si.C6H6.CH6O4Si.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12-6-7-13(9-12)8-10-2-4-11(5-3-10)17(14,15)16;1-2-4-6-5-3-1;1-5-6(2,3)4;;;/h16-18H,1-15H2;2-7,9,14-16H,8H2,1H3;1-6H;2-4H,1H3;2*1H;/q;-1;;;;;+2.
What are the key properties of benzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride?
benzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride has a molecular weight of 894.02 g/mol, XLogP of 6.19, 7 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride is sourced from PubChem (CID 158106028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).