(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride

C302H428B3Cl8F12N12P5Ru4+2 — CID 158466708

IUPAC(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride
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.CC.CCCC.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(N2C=[N+](c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2C=[N+](c3c(C)cc(C)cc3C)[C@@H]3CCCC[C@H]32)c(C)c1.Cc1cc(C)c(N2C=[N+](c3c(C)cc(C)cc3C)[C@H](c3ccccc3)[C@H]2c2ccccc2)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)[C@@H]3CCCC[C@H]32)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)[C@H](c3ccccc3)[C@H]2c2ccccc2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.FB(F)F.FB(F)F.FB(F)F.[F-].[F-].[F-]
InChIInChI=1S/2C33H35N2.2C25H33N2.2C21H27N2.5C18H33P.2C10H14.4C7H6.C4H10.C2H6.3BF3.8ClH.3FH.4Ru/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;2*1-16-11-18(3)24(19(4)12-16)26-15-27(23-10-8-7-9-22(23)26)25-20(5)13-17(2)14-21(25)6;2*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;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-7-5-8(2)10(4)9(3)6-7;4*1-7-5-3-2-4-6-7;1-3-4-2;1-2;3*2-1(3)4;;;;;;;;;;;;;;;/h2*7-21,32-33H,1-6H3;2*11-15,22-23H,7-10H2,1-6H3;2*9-13H,7-8H2,1-6H3;5*16-18H,1-15H2;2*5-6H,1-4H3;4*1-6H;3-4H2,1-2H3;1-2H3;;;;11*1H;;;;/q-1;+1;-1;+1;-1;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+2/p-6/t2*32-,33-;2*22-,23-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1111................................./s1
InChIKeyBSXKDUQXTMUZET-JBCBDEDLSA-H
MW5330.02 g/mol
LogP83.09
Rot. Bonds36

About (3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride

(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride (PubChem CID 158466708) has the molecular formula C302H428B3Cl8F12N12P5Ru4+2 and a molecular weight of 5330.02 g/mol. Its IUPAC name is (3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride.

Molecular Properties

Compound Name(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride
PubChem CID158466708
Molecular FormulaC302H428B3Cl8F12N12P5Ru4+2
Molecular Weight5330.02 g/mol
Exact Mass5326.63
IUPAC Name(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride
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.CC.CCCC.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(N2C=[N+](c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2C=[N+](c3c(C)cc(C)cc3C)[C@@H]3CCCC[C@H]32)c(C)c1.Cc1cc(C)c(N2C=[N+](c3c(C)cc(C)cc3C)[C@H](c3ccccc3)[C@H]2c2ccccc2)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)[C@@H]3CCCC[C@H]32)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)[C@H](c3ccccc3)[C@H]2c2ccccc2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.FB(F)F.FB(F)F.FB(F)F.[F-].[F-].[F-]
InChIInChI=1S/2C33H35N2.2C25H33N2.2C21H27N2.5C18H33P.2C10H14.4C7H6.C4H10.C2H6.3BF3.8ClH.3FH.4Ru/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;2*1-16-11-18(3)24(19(4)12-16)26-15-27(23-10-8-7-9-22(23)26)25-20(5)13-17(2)14-21(25)6;2*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;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-7-5-8(2)10(4)9(3)6-7;4*1-7-5-3-2-4-6-7;1-3-4-2;1-2;3*2-1(3)4;;;;;;;;;;;;;;;/h2*7-21,32-33H,1-6H3;2*11-15,22-23H,7-10H2,1-6H3;2*9-13H,7-8H2,1-6H3;5*16-18H,1-15H2;2*5-6H,1-4H3;4*1-6H;3-4H2,1-2H3;1-2H3;;;;11*1H;;;;/q-1;+1;-1;+1;-1;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+2/p-6/t2*32-,33-;2*22-,23-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1111................................./s1
InChIKeyBSXKDUQXTMUZET-JBCBDEDLSA-H
XLogP83.09
TPSA38.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds36
Heavy Atoms346
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005330.02
LogP ≤ 583.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride with MolForge

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Related Compounds

benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;methane;tricyclohexylphosphanium
CID 161205755
benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;carbanide
CID 21029728
benzylidene(dichloro)ruthenium;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide
CID 21029729
octakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(3-bromopyridine);dichloro(3-methylbut-2-enylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(4-methylpyridine);tris(4-phenylpyridine);bis(pyridine)
CID 161407226
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;2-methanidyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine;tricyclohexylphosphanium
CID 59130198
benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium
CID 160794284
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
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
benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichlororuthenium;benzylidene(dichloro)ruthenium;tris(tricyclohexylphosphanium)
CID 162127718
bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium);nitromethane;tricyclohexylphosphanium
CID 159920023
benzylidene(dichloro)ruthenium;1,3-dipropylimidazolidin-2-ide;tricyclohexylphosphanium
CID 58905757

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride?
The IUPAC name of (3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride (CID 158466708) is (3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride.
What is the SMILES notation for (3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride?
The canonical SMILES for (3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride 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.CC.CCCC.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(N2C=[N+](c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2C=[N+](c3c(C)cc(C)cc3C)[C@@H]3CCCC[C@H]32)c(C)c1.Cc1cc(C)c(N2C=[N+](c3c(C)cc(C)cc3C)[C@H](c3ccccc3)[C@H]2c2ccccc2)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)[C@@H]3CCCC[C@H]32)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)[C@H](c3ccccc3)[C@H]2c2ccccc2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.FB(F)F.FB(F)F.FB(F)F.[F-].[F-].[F-].
What is the InChIKey of (3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride?
The InChIKey is BSXKDUQXTMUZET-JBCBDEDLSA-H. The full InChI is InChI=1S/2C33H35N2.2C25H33N2.2C21H27N2.5C18H33P.2C10H14.4C7H6.C4H10.C2H6.3BF3.8ClH.3FH.4Ru/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;2*1-16-11-18(3)24(19(4)12-16)26-15-27(23-10-8-7-9-22(23)26)25-20(5)13-17(2)14-21(25)6;2*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;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-7-5-8(2)10(4)9(3)6-7;4*1-7-5-3-2-4-6-7;1-3-4-2;1-2;3*2-1(3)4;;;;;;;;;;;;;;;/h2*7-21,32-33H,1-6H3;2*11-15,22-23H,7-10H2,1-6H3;2*9-13H,7-8H2,1-6H3;5*16-18H,1-15H2;2*5-6H,1-4H3;4*1-6H;3-4H2,1-2H3;1-2H3;;;;11*1H;;;;/q-1;+1;-1;+1;-1;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+2/p-6/t2*32-,33-;2*22-,23-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1111................................./s1.
What are the key properties of (3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride?
(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride has a molecular weight of 5330.02 g/mol, XLogP of 83.09, 36 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;(3aR,7aR)-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-3-ium;tetrakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;butane;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;(4R,5R)-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethane;bis(1,2,3,5-tetramethylbenzene);pentakis(tricyclohexylphosphanium);tris(trifluoroborane);trifluoride is sourced from PubChem (CID 158466708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).