benzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride

C236H320BCl8F4N12P3Ru6-6 — CID 157236590

IUPACbenzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)=C/C=[Ru]\Cl.CC(C)c1cccc(C(C)C)c1N1[CH-]C(C)(C)CC1(C)C.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.CC=[Ru](Cl)Cl.CCCCC=C=[Ru](Cl)Cl.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.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl/[Ru]=C\CCc1ccccn1.Cl/[Ru]=C\c1ccccc1.Cl/[Ru]=C\c1ccccc1.FB(F)F.[CH3+].[CH3+].[CH3-].[CH3-].[CH3-].[CH3-].[F-].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)ccc1cccc(N3[CH-]N(c4cccc5ccc6ccccc6c45)CC3)c12
InChIInChI=1S/C31H23N2.C27H39N2.3C21H27N2.C20H32N.2C18H33P.C18H15P.C8H9N.2C7H6.C6H10.C5H8.C2H4.6CH3.BF3.8ClH.FH.6Ru/c1-3-11-26-22(7-1)15-17-24-9-5-13-28(30(24)26)32-19-20-33(21-32)29-14-6-10-25-18-16-23-8-2-4-12-27(23)31(25)29;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;1-14(2)16-10-9-11-17(15(3)4)18(16)21-13-19(5,6)12-20(21,7)8;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-8-6-3-4-7-9-8;2*1-7-5-3-2-4-6-7;1-3-5-6-4-2;1-4-5(2)3;1-2;;;;;;;2-1(3)4;;;;;;;;;;;;;;;/h1-18,21H,19-20H2;9-14,17-21H,15-16H2,1-8H3;3*9-13H,7-8H2,1-6H3;9-11,13-15H,12H2,1-8H3;2*16-18H,1-15H2;1-15H;1,3-4,6-7H,2,5H2;2*1-6H;4H,3,5-6H2,1H3;1,4H,2-3H3;1H,2H3;6*1H3;;9*1H;;;;;;/q6*-1;;;;;;;;;;4*-1;2*+1;;;;;;;;;;;4*+1;2*+2/p-6
InChIKeySSDXXUSEKUAGTK-UHFFFAOYSA-H
MW4395.01 g/mol
LogP65.57
Rot. Bonds35

About benzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride

benzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride (PubChem CID 157236590) has the molecular formula C236H320BCl8F4N12P3Ru6-6 and a molecular weight of 4395.01 g/mol. Its IUPAC name is benzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride.

Molecular Properties

Compound Namebenzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride
PubChem CID157236590
Molecular FormulaC236H320BCl8F4N12P3Ru6-6
Molecular Weight4395.01 g/mol
Exact Mass4393.65
IUPAC Namebenzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)=C/C=[Ru]\Cl.CC(C)c1cccc(C(C)C)c1N1[CH-]C(C)(C)CC1(C)C.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.CC=[Ru](Cl)Cl.CCCCC=C=[Ru](Cl)Cl.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.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl/[Ru]=C\CCc1ccccn1.Cl/[Ru]=C\c1ccccc1.Cl/[Ru]=C\c1ccccc1.FB(F)F.[CH3+].[CH3+].[CH3-].[CH3-].[CH3-].[CH3-].[F-].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)ccc1cccc(N3[CH-]N(c4cccc5ccc6ccccc6c45)CC3)c12
InChIInChI=1S/C31H23N2.C27H39N2.3C21H27N2.C20H32N.2C18H33P.C18H15P.C8H9N.2C7H6.C6H10.C5H8.C2H4.6CH3.BF3.8ClH.FH.6Ru/c1-3-11-26-22(7-1)15-17-24-9-5-13-28(30(24)26)32-19-20-33(21-32)29-14-6-10-25-18-16-23-8-2-4-12-27(23)31(25)29;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;1-14(2)16-10-9-11-17(15(3)4)18(16)21-13-19(5,6)12-20(21,7)8;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-8-6-3-4-7-9-8;2*1-7-5-3-2-4-6-7;1-3-5-6-4-2;1-4-5(2)3;1-2;;;;;;;2-1(3)4;;;;;;;;;;;;;;;/h1-18,21H,19-20H2;9-14,17-21H,15-16H2,1-8H3;3*9-13H,7-8H2,1-6H3;9-11,13-15H,12H2,1-8H3;2*16-18H,1-15H2;1-15H;1,3-4,6-7H,2,5H2;2*1-6H;4H,3,5-6H2,1H3;1,4H,2-3H3;1H,2H3;6*1H3;;9*1H;;;;;;/q6*-1;;;;;;;;;;4*-1;2*+1;;;;;;;;;;;4*+1;2*+2/p-6
InChIKeySSDXXUSEKUAGTK-UHFFFAOYSA-H
XLogP65.57
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds35
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004395.01
LogP ≤ 565.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze benzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride 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 benzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride?
The IUPAC name of benzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride (CID 157236590) is benzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride.
What is the SMILES notation for benzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride?
The canonical SMILES for benzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)=C/C=[Ru]\Cl.CC(C)c1cccc(C(C)C)c1N1[CH-]C(C)(C)CC1(C)C.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.CC=[Ru](Cl)Cl.CCCCC=C=[Ru](Cl)Cl.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.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl/[Ru]=C\CCc1ccccn1.Cl/[Ru]=C\c1ccccc1.Cl/[Ru]=C\c1ccccc1.FB(F)F.[CH3+].[CH3+].[CH3-].[CH3-].[CH3-].[CH3-].[F-].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)ccc1cccc(N3[CH-]N(c4cccc5ccc6ccccc6c45)CC3)c12.
What is the InChIKey of benzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride?
The InChIKey is SSDXXUSEKUAGTK-UHFFFAOYSA-H. The full InChI is InChI=1S/C31H23N2.C27H39N2.3C21H27N2.C20H32N.2C18H33P.C18H15P.C8H9N.2C7H6.C6H10.C5H8.C2H4.6CH3.BF3.8ClH.FH.6Ru/c1-3-11-26-22(7-1)15-17-24-9-5-13-28(30(24)26)32-19-20-33(21-32)29-14-6-10-25-18-16-23-8-2-4-12-27(23)31(25)29;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;1-14(2)16-10-9-11-17(15(3)4)18(16)21-13-19(5,6)12-20(21,7)8;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-8-6-3-4-7-9-8;2*1-7-5-3-2-4-6-7;1-3-5-6-4-2;1-4-5(2)3;1-2;;;;;;;2-1(3)4;;;;;;;;;;;;;;;/h1-18,21H,19-20H2;9-14,17-21H,15-16H2,1-8H3;3*9-13H,7-8H2,1-6H3;9-11,13-15H,12H2,1-8H3;2*16-18H,1-15H2;1-15H;1,3-4,6-7H,2,5H2;2*1-6H;4H,3,5-6H2,1H3;1,4H,2-3H3;1H,2H3;6*1H3;;9*1H;;;;;;/q6*-1;;;;;;;;;;4*-1;2*+1;;;;;;;;;;;4*+1;2*+2/p-6.
What are the key properties of benzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride?
benzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride has a molecular weight of 4395.01 g/mol, XLogP of 65.57, 35 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(chloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;chloro(3-methylbut-2-enylidene)ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro(ethylidene)ruthenium;dichloro(hex-1-enylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);trifluoroborane;triphenylphosphanium;fluoride is sourced from PubChem (CID 157236590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).