tris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium)

C271H372Cl12P12Ru6Si2+12 — CID 159989206

IUPACtris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(CC(C)c1ccc([PH+](C2CCCCC2)C2CCCCC2)cc1)c1ccc([PH+](C2CCCCC2)C2CCCCC2)cc1.C[Si](C)(C)C[PH+](C1CCCCC1)C1CCCCC1.C[Si](C)(C)C[PH+](C1CCCCC1)C1CCCCC1.Cl[Ru](Cl)=C/C=C/c1ccccc1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C=C=C(c1ccccc1)c1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2-c2c([PH+](c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C41H62P2.C40H30P2.C26H24P2.4C18H33P.2C16H33PSi.2C15H10.C9H8.3C7H6.12ClH.6Ru/c1-32(34-23-27-40(28-24-34)42(36-15-7-3-8-16-36)37-17-9-4-10-18-37)31-33(2)35-25-29-41(30-26-35)43(38-19-11-5-12-20-38)39-21-13-6-14-22-39;1-5-18-32(19-6-1)41(33-20-7-2-8-21-33)38-28-16-15-27-37(38)40-36-26-14-13-17-31(36)29-30-39(40)42(34-22-9-3-10-23-34)35-24-11-4-12-25-35;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-18(2,3)14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-6-9-7-4-3-5-8-9;3*1-7-5-3-2-4-6-7;;;;;;;;;;;;;;;;;;/h23-30,32-33,36-39H,3-22,31H2,1-2H3;1-30H;1-20H,21-22H2;4*16-18H,1-15H2;2*15-16H,4-14H2,1-3H3;1-9,11H;3-12H;1-8H;3*1-6H;12*1H;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;6*+2/b;;;;;;;;;;;6-2+;;;;;;;;;;;;;;;;;;;;;
InChIKeyLHZCQWSHFKFHIC-SRNBPEKSSA-N
MW5089.67 g/mol
LogP81.37
Rot. Bonds52

About tris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium)

tris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium) (PubChem CID 159989206) has the molecular formula C271H372Cl12P12Ru6Si2+12 and a molecular weight of 5089.67 g/mol. Its IUPAC name is tris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium).

Molecular Properties

Compound Nametris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium)
PubChem CID159989206
Molecular FormulaC271H372Cl12P12Ru6Si2+12
Molecular Weight5089.67 g/mol
Exact Mass5085.60
IUPAC Nametris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(CC(C)c1ccc([PH+](C2CCCCC2)C2CCCCC2)cc1)c1ccc([PH+](C2CCCCC2)C2CCCCC2)cc1.C[Si](C)(C)C[PH+](C1CCCCC1)C1CCCCC1.C[Si](C)(C)C[PH+](C1CCCCC1)C1CCCCC1.Cl[Ru](Cl)=C/C=C/c1ccccc1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C=C=C(c1ccccc1)c1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2-c2c([PH+](c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C41H62P2.C40H30P2.C26H24P2.4C18H33P.2C16H33PSi.2C15H10.C9H8.3C7H6.12ClH.6Ru/c1-32(34-23-27-40(28-24-34)42(36-15-7-3-8-16-36)37-17-9-4-10-18-37)31-33(2)35-25-29-41(30-26-35)43(38-19-11-5-12-20-38)39-21-13-6-14-22-39;1-5-18-32(19-6-1)41(33-20-7-2-8-21-33)38-28-16-15-27-37(38)40-36-26-14-13-17-31(36)29-30-39(40)42(34-22-9-3-10-23-34)35-24-11-4-12-25-35;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-18(2,3)14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-6-9-7-4-3-5-8-9;3*1-7-5-3-2-4-6-7;;;;;;;;;;;;;;;;;;/h23-30,32-33,36-39H,3-22,31H2,1-2H3;1-30H;1-20H,21-22H2;4*16-18H,1-15H2;2*15-16H,4-14H2,1-3H3;1-9,11H;3-12H;1-8H;3*1-6H;12*1H;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;6*+2/b;;;;;;;;;;;6-2+;;;;;;;;;;;;;;;;;;;;;
InChIKeyLHZCQWSHFKFHIC-SRNBPEKSSA-N
XLogP81.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds52
Heavy Atoms303
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005089.67
LogP ≤ 581.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium)?
The IUPAC name of tris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium) (CID 159989206) is tris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium).
What is the SMILES notation for tris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium)?
The canonical SMILES for tris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium) is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(CC(C)c1ccc([PH+](C2CCCCC2)C2CCCCC2)cc1)c1ccc([PH+](C2CCCCC2)C2CCCCC2)cc1.C[Si](C)(C)C[PH+](C1CCCCC1)C1CCCCC1.C[Si](C)(C)C[PH+](C1CCCCC1)C1CCCCC1.Cl[Ru](Cl)=C/C=C/c1ccccc1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C=C=C(c1ccccc1)c1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2-c2c([PH+](c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.
What is the InChIKey of tris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium)?
The InChIKey is LHZCQWSHFKFHIC-SRNBPEKSSA-N. The full InChI is InChI=1S/C41H62P2.C40H30P2.C26H24P2.4C18H33P.2C16H33PSi.2C15H10.C9H8.3C7H6.12ClH.6Ru/c1-32(34-23-27-40(28-24-34)42(36-15-7-3-8-16-36)37-17-9-4-10-18-37)31-33(2)35-25-29-41(30-26-35)43(38-19-11-5-12-20-38)39-21-13-6-14-22-39;1-5-18-32(19-6-1)41(33-20-7-2-8-21-33)38-28-16-15-27-37(38)40-36-26-14-13-17-31(36)29-30-39(40)42(34-22-9-3-10-23-34)35-24-11-4-12-25-35;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-18(2,3)14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-6-9-7-4-3-5-8-9;3*1-7-5-3-2-4-6-7;;;;;;;;;;;;;;;;;;/h23-30,32-33,36-39H,3-22,31H2,1-2H3;1-30H;1-20H,21-22H2;4*16-18H,1-15H2;2*15-16H,4-14H2,1-3H3;1-9,11H;3-12H;1-8H;3*1-6H;12*1H;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;6*+2/b;;;;;;;;;;;6-2+;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of tris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium)?
tris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium) has a molecular weight of 5089.67 g/mol, XLogP of 81.37, 52 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium) is sourced from PubChem (CID 159989206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).