bis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium)

C379H503Cl16N15P7Ru8S2+ — CID 157269090

IUPACbis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)C(c3ccccc3)C2c2ccccc2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)C(c3ccccc3)C2c2ccccc2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=CCCc1ccccn1.Cl[Ru](Cl)=CSc1ccccc1.Cl[Ru](Cl)=CSc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.c1ccc(-c2ccncc2)cc1.c1ccncc1
InChIInChI=1S/2C33H35N2.C27H39N2.2C21H27N2.C21H25N2.7C18H33P.3C15H10.C11H9N.C8H9N.2C7H6S.2C7H6.C5H5N.16ClH.8Ru/c2*1-22-17-24(3)30(25(4)18-22)34-21-35(31-26(5)19-23(2)20-27(31)6)33(29-15-11-8-12-16-29)32(34)28-13-9-7-10-14-28;1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;3*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;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-5-8-6-3-4-7-9-8;2*1-8-7-5-3-2-4-6-7;2*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;/h2*7-21,32-33H,1-6H3;9-14,17-21H,15-16H2,1-8H3;2*9-13H,7-8H2,1-6H3;7-13H,1-6H3;7*16-18H,1-15H2;3*1-9,11H;1-9H;1,3-4,6-7H,2,5H2;2*1-6H;2*1-6H;1-5H;16*1H;;;;;;;;/q6*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;8*+2/p-9
InChIKeyHISGABMJOWMCOC-UHFFFAOYSA-E
MW6926.06 g/mol
LogP116.13
Rot. Bonds54

About bis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium)

bis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium) (PubChem CID 157269090) has the molecular formula C379H503Cl16N15P7Ru8S2+ and a molecular weight of 6926.06 g/mol. Its IUPAC name is bis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium).

Molecular Properties

Compound Namebis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium)
PubChem CID157269090
Molecular FormulaC379H503Cl16N15P7Ru8S2+
Molecular Weight6926.06 g/mol
Exact Mass6920.48
IUPAC Namebis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)C(c3ccccc3)C2c2ccccc2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)C(c3ccccc3)C2c2ccccc2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=CCCc1ccccn1.Cl[Ru](Cl)=CSc1ccccc1.Cl[Ru](Cl)=CSc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.c1ccc(-c2ccncc2)cc1.c1ccncc1
InChIInChI=1S/2C33H35N2.C27H39N2.2C21H27N2.C21H25N2.7C18H33P.3C15H10.C11H9N.C8H9N.2C7H6S.2C7H6.C5H5N.16ClH.8Ru/c2*1-22-17-24(3)30(25(4)18-22)34-21-35(31-26(5)19-23(2)20-27(31)6)33(29-15-11-8-12-16-29)32(34)28-13-9-7-10-14-28;1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;3*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;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-5-8-6-3-4-7-9-8;2*1-8-7-5-3-2-4-6-7;2*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;/h2*7-21,32-33H,1-6H3;9-14,17-21H,15-16H2,1-8H3;2*9-13H,7-8H2,1-6H3;7-13H,1-6H3;7*16-18H,1-15H2;3*1-9,11H;1-9H;1,3-4,6-7H,2,5H2;2*1-6H;2*1-6H;1-5H;16*1H;;;;;;;;/q6*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;8*+2/p-9
InChIKeyHISGABMJOWMCOC-UHFFFAOYSA-E
XLogP116.13
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds54
Heavy Atoms427
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006926.06
LogP ≤ 5116.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze bis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium)?
The IUPAC name of bis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium) (CID 157269090) is bis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium).
What is the SMILES notation for bis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium)?
The canonical SMILES for bis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium) is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)C(c3ccccc3)C2c2ccccc2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)C(c3ccccc3)C2c2ccccc2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=CCCc1ccccn1.Cl[Ru](Cl)=CSc1ccccc1.Cl[Ru](Cl)=CSc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.c1ccc(-c2ccncc2)cc1.c1ccncc1.
What is the InChIKey of bis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium)?
The InChIKey is HISGABMJOWMCOC-UHFFFAOYSA-E. The full InChI is InChI=1S/2C33H35N2.C27H39N2.2C21H27N2.C21H25N2.7C18H33P.3C15H10.C11H9N.C8H9N.2C7H6S.2C7H6.C5H5N.16ClH.8Ru/c2*1-22-17-24(3)30(25(4)18-22)34-21-35(31-26(5)19-23(2)20-27(31)6)33(29-15-11-8-12-16-29)32(34)28-13-9-7-10-14-28;1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;3*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;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-5-8-6-3-4-7-9-8;2*1-8-7-5-3-2-4-6-7;2*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;/h2*7-21,32-33H,1-6H3;9-14,17-21H,15-16H2,1-8H3;2*9-13H,7-8H2,1-6H3;7-13H,1-6H3;7*16-18H,1-15H2;3*1-9,11H;1-9H;1,3-4,6-7H,2,5H2;2*1-6H;2*1-6H;1-5H;16*1H;;;;;;;;/q6*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;8*+2/p-9.
What are the key properties of bis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium)?
bis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium) has a molecular weight of 6926.06 g/mol, XLogP of 116.13, 54 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);4-phenylpyridine;pyridine;heptakis(tricyclohexylphosphanium) is sourced from PubChem (CID 157269090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).