tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium

C118H148Cl6N12Ru4-4 — CID 158143313

IUPACtetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium
SMILESCc1cc(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.Cc1cccc(CC/C=[Ru]\Cl)n1.Cc1ccnc(CCC=[Ru](Cl)Cl)c1.Cl/[Ru]=C\CCc1ccccn1.Cl[Ru](Cl)=CCCc1ccccn1
InChIInChI=1S/4C21H27N2.2C9H11N.2C8H9N.6ClH.4Ru/c4*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;1-3-5-9-7-4-6-8(2)10-9;1-3-4-9-7-8(2)5-6-10-9;2*1-2-5-8-6-3-4-7-9-8;;;;;;;;;;/h4*9-13H,7-8H2,1-6H3;1,4,6-7H,3,5H2,2H3;1,5-7H,3-4H2,2H3;2*1,3-4,6-7H,2,5H2;6*1H;;;;/q4*-1;;;;;;;;;;;2*+1;2*+2/p-6
InChIKeyAFMDTKYQBWXGMP-UHFFFAOYSA-H
MW2351.56 g/mol
LogP30.14
Rot. Bonds20

About tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium

tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium (PubChem CID 158143313) has the molecular formula C118H148Cl6N12Ru4-4 and a molecular weight of 2351.56 g/mol. Its IUPAC name is tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium.

Molecular Properties

Compound Nametetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium
PubChem CID158143313
Molecular FormulaC118H148Cl6N12Ru4-4
Molecular Weight2351.56 g/mol
Exact Mass2350.63
IUPAC Nametetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium
SMILESCc1cc(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.Cc1cccc(CC/C=[Ru]\Cl)n1.Cc1ccnc(CCC=[Ru](Cl)Cl)c1.Cl/[Ru]=C\CCc1ccccn1.Cl[Ru](Cl)=CCCc1ccccn1
InChIInChI=1S/4C21H27N2.2C9H11N.2C8H9N.6ClH.4Ru/c4*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;1-3-5-9-7-4-6-8(2)10-9;1-3-4-9-7-8(2)5-6-10-9;2*1-2-5-8-6-3-4-7-9-8;;;;;;;;;;/h4*9-13H,7-8H2,1-6H3;1,4,6-7H,3,5H2,2H3;1,5-7H,3-4H2,2H3;2*1,3-4,6-7H,2,5H2;6*1H;;;;/q4*-1;;;;;;;;;;;2*+1;2*+2/p-6
InChIKeyAFMDTKYQBWXGMP-UHFFFAOYSA-H
XLogP30.14
TPSA77.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002351.56
LogP ≤ 530.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium with MolForge

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Related Compounds

bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[(2-formylphenyl)methylidene]ruthenium;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;ethyl(methyl)phosphane
CID 159006538
[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-(3-pyridin-2-ylpropylidene)ruthenium
CID 90074862
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;triphenylphosphanium
CID 162463414
bis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;1,3-di(phenanthren-4-yl)imidazolidin-2-ide;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;bis(tricyclohexylphosphanium);triphenylphosphanium
CID 162023549
benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine)
CID 162285779
2-[2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethyl]pyridine;iodide;hydrate
CID 139099427
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-(3-phenylinden-1-ylidene)ruthenium;pyridine
CID 59574881
dichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium
CID 20749001
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-(3-phenylinden-1-ylidene)ruthenium;quinolin-8-ylazanide
CID 154612126
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-(3-oxobutan-2-yloxonio)phenyl]methylidene]ruthenium
CID 153084318
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium
CID 58543538
2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane
CID 139101300

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium?
The IUPAC name of tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium (CID 158143313) is tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium.
What is the SMILES notation for tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium?
The canonical SMILES for tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium is 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.Cc1cccc(CC/C=[Ru]\Cl)n1.Cc1ccnc(CCC=[Ru](Cl)Cl)c1.Cl/[Ru]=C\CCc1ccccn1.Cl[Ru](Cl)=CCCc1ccccn1.
What is the InChIKey of tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium?
The InChIKey is AFMDTKYQBWXGMP-UHFFFAOYSA-H. The full InChI is InChI=1S/4C21H27N2.2C9H11N.2C8H9N.6ClH.4Ru/c4*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;1-3-5-9-7-4-6-8(2)10-9;1-3-4-9-7-8(2)5-6-10-9;2*1-2-5-8-6-3-4-7-9-8;;;;;;;;;;/h4*9-13H,7-8H2,1-6H3;1,4,6-7H,3,5H2,2H3;1,5-7H,3-4H2,2H3;2*1,3-4,6-7H,2,5H2;6*1H;;;;/q4*-1;;;;;;;;;;;2*+1;2*+2/p-6.
What are the key properties of tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium?
tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium has a molecular weight of 2351.56 g/mol, XLogP of 30.14, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[3-(6-methyl-2-pyridinyl)propylidene]ruthenium;chloro(3-pyridin-2-ylpropylidene)ruthenium;dichloro-[3-(4-methyl-2-pyridinyl)propylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium is sourced from PubChem (CID 158143313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).