benzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(tricyclohexylphosphanium)

C296H538Cl14P14Ru7Si+14 — CID 159624465

IUPACbenzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(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.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)C=C=[Ru](Cl)Cl.CCCC=C=[Ru](Cl)Cl.CCCCC=C=[Ru](Cl)Cl.CCCCCCC=C=[Ru](Cl)Cl.C[Si](C)(C)C=C=[Ru](Cl)Cl.Cl[Ru](Cl)=C=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1
InChIInChI=1S/14C18H33P.C8H6.C8H14.C7H6.C6H10.C5H10Si.2C5H8.14ClH.7Ru/c14*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-6-4-3-5-7-8;1-3-5-7-8-6-4-2;1-7-5-3-2-4-6-7;1-3-5-6-4-2;1-5-6(2,3)4;1-4-5(2)3;1-3-5-4-2;;;;;;;;;;;;;;;;;;;;;/h14*16-18H,1-15H2;2-7H;4H,3,5-8H2,1H3;1-6H;4H,3,5-6H2,1H3;5H,2-4H3;4-5H,2-3H3;4H,3,5H2,1H3;14*1H;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;7*+2
InChIKeyMFUNQPYJRZUFHU-UHFFFAOYSA-N
MW5763.11 g/mol
LogP107.41
Rot. Bonds56

About benzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(tricyclohexylphosphanium)

benzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(tricyclohexylphosphanium) (PubChem CID 159624465) has the molecular formula C296H538Cl14P14Ru7Si+14 and a molecular weight of 5763.11 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(tricyclohexylphosphanium).

Molecular Properties

Compound Namebenzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(tricyclohexylphosphanium)
PubChem CID159624465
Molecular FormulaC296H538Cl14P14Ru7Si+14
Molecular Weight5763.11 g/mol
Exact Mass5758.71
IUPAC Namebenzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(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.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)C=C=[Ru](Cl)Cl.CCCC=C=[Ru](Cl)Cl.CCCCC=C=[Ru](Cl)Cl.CCCCCCC=C=[Ru](Cl)Cl.C[Si](C)(C)C=C=[Ru](Cl)Cl.Cl[Ru](Cl)=C=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1
InChIInChI=1S/14C18H33P.C8H6.C8H14.C7H6.C6H10.C5H10Si.2C5H8.14ClH.7Ru/c14*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-6-4-3-5-7-8;1-3-5-7-8-6-4-2;1-7-5-3-2-4-6-7;1-3-5-6-4-2;1-5-6(2,3)4;1-4-5(2)3;1-3-5-4-2;;;;;;;;;;;;;;;;;;;;;/h14*16-18H,1-15H2;2-7H;4H,3,5-8H2,1H3;1-6H;4H,3,5-6H2,1H3;5H,2-4H3;4-5H,2-3H3;4H,3,5H2,1H3;14*1H;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;7*+2
InChIKeyMFUNQPYJRZUFHU-UHFFFAOYSA-N
XLogP107.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds56
Heavy Atoms332
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005763.11
LogP ≤ 5107.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze benzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(tricyclohexylphosphanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(tricyclohexylphosphanium)?
The IUPAC name of benzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(tricyclohexylphosphanium) (CID 159624465) is benzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(tricyclohexylphosphanium).
What is the SMILES notation for benzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(tricyclohexylphosphanium)?
The canonical SMILES for benzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(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.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)C=C=[Ru](Cl)Cl.CCCC=C=[Ru](Cl)Cl.CCCCC=C=[Ru](Cl)Cl.CCCCCCC=C=[Ru](Cl)Cl.C[Si](C)(C)C=C=[Ru](Cl)Cl.Cl[Ru](Cl)=C=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.
What is the InChIKey of benzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(tricyclohexylphosphanium)?
The InChIKey is MFUNQPYJRZUFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/14C18H33P.C8H6.C8H14.C7H6.C6H10.C5H10Si.2C5H8.14ClH.7Ru/c14*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-6-4-3-5-7-8;1-3-5-7-8-6-4-2;1-7-5-3-2-4-6-7;1-3-5-6-4-2;1-5-6(2,3)4;1-4-5(2)3;1-3-5-4-2;;;;;;;;;;;;;;;;;;;;;/h14*16-18H,1-15H2;2-7H;4H,3,5-8H2,1H3;1-6H;4H,3,5-6H2,1H3;5H,2-4H3;4-5H,2-3H3;4H,3,5H2,1H3;14*1H;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;7*+2.
What are the key properties of benzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(tricyclohexylphosphanium)?
benzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(tricyclohexylphosphanium) has a molecular weight of 5763.11 g/mol, XLogP of 107.41, 56 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(tricyclohexylphosphanium) is sourced from PubChem (CID 159624465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).