1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro(3-methylbut-2-enylidene)ruthenium);tris(dicyclohexyl(morpholin-4-yl)phosphanium);methane;oxolane;2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine

C107H179Cl7N7O4P3Ru2+2 — CID 157377487

IUPAC1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro(3-methylbut-2-enylidene)ruthenium);tris(dicyclohexyl(morpholin-4-yl)phosphanium);methane;oxolane;2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
SMILESC.C.C1CCC([PH+](C2CCCCC2)N2CCOCC2)CC1.C1CCC([PH+](C2CCCCC2)N2CCOCC2)CC1.C1CCC([PH+](C2CCCCC2)N2CCOCC2)CC1.C1CCOC1.CC(C)=CC=[Ru](Cl)Cl.CC(C)=CC=[Ru](Cl)Cl.Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2C(Cl)(Cl)Cl)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C22H27Cl3N2.C21H27N2.3C16H30NOP.2C5H8.C4H8O.2CH4.4ClH.2Ru/c1-13-9-15(3)19(16(4)10-13)26-7-8-27(21(26)22(23,24)25)20-17(5)11-14(2)12-18(20)6;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;3*1-3-7-15(8-4-1)19(16-9-5-2-6-10-16)17-11-13-18-14-12-17;2*1-4-5(2)3;1-2-4-5-3-1;;;;;;;;/h9-12,21H,7-8H2,1-6H3;9-13H,7-8H2,1-6H3;3*15-16H,1-14H2;2*1,4H,2-3H3;1-4H2;2*1H4;4*1H;;/q;-1;;;;;;;;;;;;;2*+2/p-1
InChIKeyZKRNFTQXHYYHIK-UHFFFAOYSA-M
MW2170.89 g/mol
LogP31.31
Rot. Bonds15

About 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro(3-methylbut-2-enylidene)ruthenium);tris(dicyclohexyl(morpholin-4-yl)phosphanium);methane;oxolane;2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine

1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro(3-methylbut-2-enylidene)ruthenium);tris(dicyclohexyl(morpholin-4-yl)phosphanium);methane;oxolane;2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine (PubChem CID 157377487) has the molecular formula C107H179Cl7N7O4P3Ru2+2 and a molecular weight of 2170.89 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro(3-methylbut-2-enylidene)ruthenium);tris(dicyclohexyl(morpholin-4-yl)phosphanium);methane;oxolane;2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro(3-methylbut-2-enylidene)ruthenium);tris(dicyclohexyl(morpholin-4-yl)phosphanium);methane;oxolane;2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
PubChem CID157377487
Molecular FormulaC107H179Cl7N7O4P3Ru2+2
Molecular Weight2170.89 g/mol
Exact Mass2167.91
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro(3-methylbut-2-enylidene)ruthenium);tris(dicyclohexyl(morpholin-4-yl)phosphanium);methane;oxolane;2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
SMILESC.C.C1CCC([PH+](C2CCCCC2)N2CCOCC2)CC1.C1CCC([PH+](C2CCCCC2)N2CCOCC2)CC1.C1CCC([PH+](C2CCCCC2)N2CCOCC2)CC1.C1CCOC1.CC(C)=CC=[Ru](Cl)Cl.CC(C)=CC=[Ru](Cl)Cl.Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2C(Cl)(Cl)Cl)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C22H27Cl3N2.C21H27N2.3C16H30NOP.2C5H8.C4H8O.2CH4.4ClH.2Ru/c1-13-9-15(3)19(16(4)10-13)26-7-8-27(21(26)22(23,24)25)20-17(5)11-14(2)12-18(20)6;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;3*1-3-7-15(8-4-1)19(16-9-5-2-6-10-16)17-11-13-18-14-12-17;2*1-4-5(2)3;1-2-4-5-3-1;;;;;;;;/h9-12,21H,7-8H2,1-6H3;9-13H,7-8H2,1-6H3;3*15-16H,1-14H2;2*1,4H,2-3H3;1-4H2;2*1H4;4*1H;;/q;-1;;;;;;;;;;;;;2*+2/p-1
InChIKeyZKRNFTQXHYYHIK-UHFFFAOYSA-M
XLogP31.31
TPSA59.60 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002170.89
LogP ≤ 531.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 11774625
benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;methane;tricyclohexylphosphanium
CID 161205755
pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium)
CID 158920020
2-acetyloxyethylidene(dichloro)ruthenium;hexakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[[(6R)-6-methylcyclohexa-1,3-dien-1-yl]methylidene]ruthenium
CID 159602824
2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 138636909
pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;octakis(tricyclohexylphosphanium)
CID 161242154
bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium)
CID 158563190
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium;tricyclohexylphosphanium
CID 140713470
benzylidene(dichloro)ruthenium;2-methanidyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine;tricyclohexylphosphanium
CID 59130198
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;cyclohexylphosphane
CID 153489756
bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium);nitromethane;tricyclohexylphosphanium
CID 159920023
benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium)
CID 162260168

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro(3-methylbut-2-enylidene)ruthenium);tris(dicyclohexyl(morpholin-4-yl)phosphanium);methane;oxolane;2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro(3-methylbut-2-enylidene)ruthenium);tris(dicyclohexyl(morpholin-4-yl)phosphanium);methane;oxolane;2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine (CID 157377487) is 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro(3-methylbut-2-enylidene)ruthenium);tris(dicyclohexyl(morpholin-4-yl)phosphanium);methane;oxolane;2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro(3-methylbut-2-enylidene)ruthenium);tris(dicyclohexyl(morpholin-4-yl)phosphanium);methane;oxolane;2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro(3-methylbut-2-enylidene)ruthenium);tris(dicyclohexyl(morpholin-4-yl)phosphanium);methane;oxolane;2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine is C.C.C1CCC([PH+](C2CCCCC2)N2CCOCC2)CC1.C1CCC([PH+](C2CCCCC2)N2CCOCC2)CC1.C1CCC([PH+](C2CCCCC2)N2CCOCC2)CC1.C1CCOC1.CC(C)=CC=[Ru](Cl)Cl.CC(C)=CC=[Ru](Cl)Cl.Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2C(Cl)(Cl)Cl)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro(3-methylbut-2-enylidene)ruthenium);tris(dicyclohexyl(morpholin-4-yl)phosphanium);methane;oxolane;2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The InChIKey is ZKRNFTQXHYYHIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H27Cl3N2.C21H27N2.3C16H30NOP.2C5H8.C4H8O.2CH4.4ClH.2Ru/c1-13-9-15(3)19(16(4)10-13)26-7-8-27(21(26)22(23,24)25)20-17(5)11-14(2)12-18(20)6;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;3*1-3-7-15(8-4-1)19(16-9-5-2-6-10-16)17-11-13-18-14-12-17;2*1-4-5(2)3;1-2-4-5-3-1;;;;;;;;/h9-12,21H,7-8H2,1-6H3;9-13H,7-8H2,1-6H3;3*15-16H,1-14H2;2*1,4H,2-3H3;1-4H2;2*1H4;4*1H;;/q;-1;;;;;;;;;;;;;2*+2/p-1.
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro(3-methylbut-2-enylidene)ruthenium);tris(dicyclohexyl(morpholin-4-yl)phosphanium);methane;oxolane;2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro(3-methylbut-2-enylidene)ruthenium);tris(dicyclohexyl(morpholin-4-yl)phosphanium);methane;oxolane;2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine has a molecular weight of 2170.89 g/mol, XLogP of 31.31, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro(3-methylbut-2-enylidene)ruthenium);tris(dicyclohexyl(morpholin-4-yl)phosphanium);methane;oxolane;2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine is sourced from PubChem (CID 157377487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).