pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium)

C383H460BrCl16N12P9Ru8+4 — CID 158172539

IUPACpentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium)
SMILESBrc1cccnc1.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.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.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)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C=C1c2ccccc2-c2ccccc21.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccncc1
InChIInChI=1S/5C21H27N2.6C18H33P.3C18H15P.2C14H8.6C13H8.C5H4BrN.C5H5N.16ClH.8Ru/c5*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;9*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;6*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;6-5-2-1-3-7-4-5;1-2-4-6-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;/h5*9-13H,7-8H2,1-6H3;6*16-18H,1-15H2;3*1-15H;2*2-9H;6*1-8H;1-4H;1-5H;16*1H;;;;;;;;/q5*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;8*+2/p-7
InChIKeyICLVZGZKNAGRKB-UHFFFAOYSA-G
MW6966.46 g/mol
LogP108.39
Rot. Bonds37

About pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium)

pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium) (PubChem CID 158172539) has the molecular formula C383H460BrCl16N12P9Ru8+4 and a molecular weight of 6966.46 g/mol. Its IUPAC name is pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium).

Molecular Properties

Compound Namepentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium)
PubChem CID158172539
Molecular FormulaC383H460BrCl16N12P9Ru8+4
Molecular Weight6966.46 g/mol
Exact Mass6960.05
IUPAC Namepentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium)
SMILESBrc1cccnc1.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.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.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)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C=C1c2ccccc2-c2ccccc21.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccncc1
InChIInChI=1S/5C21H27N2.6C18H33P.3C18H15P.2C14H8.6C13H8.C5H4BrN.C5H5N.16ClH.8Ru/c5*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;9*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;6*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;6-5-2-1-3-7-4-5;1-2-4-6-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;/h5*9-13H,7-8H2,1-6H3;6*16-18H,1-15H2;3*1-15H;2*2-9H;6*1-8H;1-4H;1-5H;16*1H;;;;;;;;/q5*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;8*+2/p-7
InChIKeyICLVZGZKNAGRKB-UHFFFAOYSA-G
XLogP108.39
TPSA58.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds37
Heavy Atoms429
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006966.46
LogP ≤ 5108.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

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
tris(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(3-bromopyridine);tetrakis(pyridine)
CID 161349957
benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;methane;tricyclohexylphosphanium
CID 161205755
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
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;chloro-(3-phenylinden-1-ylidene)ruthenium;tricyclohexylphosphanium
CID 58568259
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-(3-phenylinden-1-ylidene)ruthenium;pyridine
CID 59574881
hexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine)
CID 159401909
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
bis(3-bromopyridine);dichloro(3-methylbut-2-enylidene)ruthenium;tricyclohexylphosphanium
CID 20740762
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
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;triphenylphosphanium
CID 162463414

Frequently Asked Questions

What is the IUPAC name of pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium)?
The IUPAC name of pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium) (CID 158172539) is pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium).
What is the SMILES notation for pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium)?
The canonical SMILES for pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium) is Brc1cccnc1.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.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.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)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C=C1c2ccccc2-c2ccccc21.Cl[Ru](Cl)=C=C1c2ccccc2-c2ccccc21.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccncc1.
What is the InChIKey of pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium)?
The InChIKey is ICLVZGZKNAGRKB-UHFFFAOYSA-G. The full InChI is InChI=1S/5C21H27N2.6C18H33P.3C18H15P.2C14H8.6C13H8.C5H4BrN.C5H5N.16ClH.8Ru/c5*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;9*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;6*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;6-5-2-1-3-7-4-5;1-2-4-6-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;/h5*9-13H,7-8H2,1-6H3;6*16-18H,1-15H2;3*1-15H;2*2-9H;6*1-8H;1-4H;1-5H;16*1H;;;;;;;;/q5*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;8*+2/p-7.
What are the key properties of pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium)?
pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium) has a molecular weight of 6966.46 g/mol, XLogP of 108.39, 37 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium) is sourced from PubChem (CID 158172539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).