1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium

C91H131Cl4N5O6PRu3 — CID 159708849

IUPAC1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)Oc1ccccc1C=[Ru+].CC(C)Oc1ccccc1C=[Ru](Cl)Cl.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(C34CC5CC(CC(C5)C3)C4)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.ON(O)O
InChIInChI=1S/C22H31N2.C21H27N2.C18H33P.3C10H12O.4ClH.H3NO3.3Ru/c1-15-6-16(2)21(17(3)7-15)23-4-5-24(14-23)22-11-18-8-19(12-22)10-20(9-18)13-22;1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-8(2)11-10-7-5-4-6-9(10)3;;;;;2-1(3)4;;;/h6-7,14,18-20H,4-5,8-13H2,1-3H3;9-13H,7-8H2,1-6H3;16-18H,1-15H2;3*3-8H,1-2H3;4*1H;2-4H;;;/q2*-1;;;;;;;;;;+1;2*+2/p-3
InChIKeyUDDOLENYDUNHIQ-UHFFFAOYSA-K
MW1867.07 g/mol
LogP24.73
Rot. Bonds16

About 1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium

1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium (PubChem CID 159708849) has the molecular formula C91H131Cl4N5O6PRu3 and a molecular weight of 1867.07 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium
PubChem CID159708849
Molecular FormulaC91H131Cl4N5O6PRu3
Molecular Weight1867.07 g/mol
Exact Mass1866.57
IUPAC Name1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)Oc1ccccc1C=[Ru+].CC(C)Oc1ccccc1C=[Ru](Cl)Cl.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(C34CC5CC(CC(C5)C3)C4)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.ON(O)O
InChIInChI=1S/C22H31N2.C21H27N2.C18H33P.3C10H12O.4ClH.H3NO3.3Ru/c1-15-6-16(2)21(17(3)7-15)23-4-5-24(14-23)22-11-18-8-19(12-22)10-20(9-18)13-22;1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-8(2)11-10-7-5-4-6-9(10)3;;;;;2-1(3)4;;;/h6-7,14,18-20H,4-5,8-13H2,1-3H3;9-13H,7-8H2,1-6H3;16-18H,1-15H2;3*3-8H,1-2H3;4*1H;2-4H;;;/q2*-1;;;;;;;;;;+1;2*+2/p-3
InChIKeyUDDOLENYDUNHIQ-UHFFFAOYSA-K
XLogP24.73
TPSA104.58 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001867.07
LogP ≤ 524.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-(3,5-dimethyl-1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
CID 140638313
benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium)
CID 157447472
benzylidene(dichloro)ruthenium;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium)
CID 162285742
1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium)
CID 161445120
dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
CID 20767012
1-benzyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153489728
benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;methane;tricyclohexylphosphanium
CID 161205755
tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium)
CID 163768299
bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium);nitromethane;tricyclohexylphosphanium
CID 159920023
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-cyclopropyloxyphenyl)methylidene]ruthenium
CID 176633481
potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,6-dimethylbenzenethiolate);methane;molecular hydrogen
CID 160794293
tetrakis(benzylidene(dichloro)ruthenium);bis(3-bromopyridine);cyclopentane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;tetrakis(tricyclohexylphosphanium);tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)
CID 160899597

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium?
The IUPAC name of 1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium (CID 159708849) is 1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium.
What is the SMILES notation for 1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium?
The canonical SMILES for 1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)Oc1ccccc1C=[Ru+].CC(C)Oc1ccccc1C=[Ru](Cl)Cl.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(C34CC5CC(CC(C5)C3)C4)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.ON(O)O.
What is the InChIKey of 1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium?
The InChIKey is UDDOLENYDUNHIQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C22H31N2.C21H27N2.C18H33P.3C10H12O.4ClH.H3NO3.3Ru/c1-15-6-16(2)21(17(3)7-15)23-4-5-24(14-23)22-11-18-8-19(12-22)10-20(9-18)13-22;1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-8(2)11-10-7-5-4-6-9(10)3;;;;;2-1(3)4;;;/h6-7,14,18-20H,4-5,8-13H2,1-3H3;9-13H,7-8H2,1-6H3;16-18H,1-15H2;3*3-8H,1-2H3;4*1H;2-4H;;;/q2*-1;;;;;;;;;;+1;2*+2/p-3.
What are the key properties of 1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium?
1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium has a molecular weight of 1867.07 g/mol, XLogP of 24.73, 16 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium is sourced from PubChem (CID 159708849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).