dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(propylidene)ruthenium;tetrakis(tricyclohexylphosphanium)

C87H151Cl4NO4P4Ru2+4 — CID 162216669

IUPACdichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(propylidene)ruthenium;tetrakis(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CCC=[Ru](Cl)Cl.O=C(ON1C(=O)CCC1=O)c1ccc(C=[Ru](Cl)Cl)cc1
InChIInChI=1S/4C18H33P.C12H9NO4.C3H6.4ClH.2Ru/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-2-4-9(5-3-8)12(16)17-13-10(14)6-7-11(13)15;1-3-2;;;;;;/h4*16-18H,1-15H2;1-5H,6-7H2;1H,3H2,2H3;4*1H;;/q;;;;;;;;;;2*+2
InChIKeyVOORVDMTEHTFQH-UHFFFAOYSA-N
MW1743.02 g/mol
LogP28.90
Rot. Bonds16

About dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(propylidene)ruthenium;tetrakis(tricyclohexylphosphanium)

dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(propylidene)ruthenium;tetrakis(tricyclohexylphosphanium) (PubChem CID 162216669) has the molecular formula C87H151Cl4NO4P4Ru2+4 and a molecular weight of 1743.02 g/mol. Its IUPAC name is dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(propylidene)ruthenium;tetrakis(tricyclohexylphosphanium).

Molecular Properties

Compound Namedichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(propylidene)ruthenium;tetrakis(tricyclohexylphosphanium)
PubChem CID162216669
Molecular FormulaC87H151Cl4NO4P4Ru2+4
Molecular Weight1743.02 g/mol
Exact Mass1741.74
IUPAC Namedichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(propylidene)ruthenium;tetrakis(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CCC=[Ru](Cl)Cl.O=C(ON1C(=O)CCC1=O)c1ccc(C=[Ru](Cl)Cl)cc1
InChIInChI=1S/4C18H33P.C12H9NO4.C3H6.4ClH.2Ru/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-2-4-9(5-3-8)12(16)17-13-10(14)6-7-11(13)15;1-3-2;;;;;;/h4*16-18H,1-15H2;1-5H,6-7H2;1H,3H2,2H3;4*1H;;/q;;;;;;;;;;2*+2
InChIKeyVOORVDMTEHTFQH-UHFFFAOYSA-N
XLogP28.90
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001743.02
LogP ≤ 528.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(propylidene)ruthenium;tetrakis(tricyclohexylphosphanium)?
The IUPAC name of dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(propylidene)ruthenium;tetrakis(tricyclohexylphosphanium) (CID 162216669) is dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(propylidene)ruthenium;tetrakis(tricyclohexylphosphanium).
What is the SMILES notation for dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(propylidene)ruthenium;tetrakis(tricyclohexylphosphanium)?
The canonical SMILES for dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(propylidene)ruthenium;tetrakis(tricyclohexylphosphanium) is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CCC=[Ru](Cl)Cl.O=C(ON1C(=O)CCC1=O)c1ccc(C=[Ru](Cl)Cl)cc1.
What is the InChIKey of dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(propylidene)ruthenium;tetrakis(tricyclohexylphosphanium)?
The InChIKey is VOORVDMTEHTFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H33P.C12H9NO4.C3H6.4ClH.2Ru/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-2-4-9(5-3-8)12(16)17-13-10(14)6-7-11(13)15;1-3-2;;;;;;/h4*16-18H,1-15H2;1-5H,6-7H2;1H,3H2,2H3;4*1H;;/q;;;;;;;;;;2*+2.
What are the key properties of dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(propylidene)ruthenium;tetrakis(tricyclohexylphosphanium)?
dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(propylidene)ruthenium;tetrakis(tricyclohexylphosphanium) has a molecular weight of 1743.02 g/mol, XLogP of 28.90, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(propylidene)ruthenium;tetrakis(tricyclohexylphosphanium) is sourced from PubChem (CID 162216669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).