tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);[2-butan-2-yloxy-5-(4-nitrosooxy-1,4-oxathian-4-yl)phenyl]methylidene-dichlororuthenium;dichloro-[[2-(dimethylamino)-3,5-difluorophenyl]methylidene]ruthenium;dichloro-[[2-(dimethylamino)-5-nitrophenyl]methylidene]ruthenium;dichloro-[[2-[methyl(propan-2-yl)amino]-5-nitrophenyl]methylidene]ruthenium;dichloro-[[5-nitro-2-(propan-2-ylamino)phenyl]methylidene]ruthenium;dichloro-[[5-(4-nitrosooxy-1,4-oxathian-4-yl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;bis(tricyclohexylphosphanium)

C188H261Cl12F2N17O14P2Ru6S2-2 — CID 157284686

About tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);[2-butan-2-yloxy-5-(4-nitrosooxy-1,4-oxathian-4-yl)phenyl]methylidene-dichlororuthenium;dichloro-[[2-(dimethylamino)-3,5-difluorophenyl]methylidene]ruthenium;dichloro-[[2-(dimethylamino)-5-nitrophenyl]methylidene]ruthenium;dichloro-[[2-[methyl(propan-2-yl)amino]-5-nitrophenyl]methylidene]ruthenium;dichloro-[[5-nitro-2-(propan-2-ylamino)phenyl]methylidene]ruthenium;dichloro-[[5-(4-nitrosooxy-1,4-oxathian-4-yl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;bis(tricyclohexylphosphanium)

tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);[2-butan-2-yloxy-5-(4-nitrosooxy-1,4-oxathian-4-yl)phenyl]methylidene-dichlororuthenium;dichloro-[[2-(dimethylamino)-3,5-difluorophenyl]methylidene]ruthenium;dichloro-[[2-(dimethylamino)-5-nitrophenyl]methylidene]ruthenium;dichloro-[[2-[methyl(propan-2-yl)amino]-5-nitrophenyl]methylidene]ruthenium;dichloro-[[5-nitro-2-(propan-2-ylamino)phenyl]methylidene]ruthenium;dichloro-[[5-(4-nitrosooxy-1,4-oxathian-4-yl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;bis(tricyclohexylphosphanium) (PubChem CID 157284686) has the molecular formula C188H261Cl12F2N17O14P2Ru6S2-2 and a molecular weight of 4179.19 g/mol. Its IUPAC name is tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);[2-butan-2-yloxy-5-(4-nitrosooxy-1,4-oxathian-4-yl)phenyl]methylidene-dichlororuthenium;dichloro-[[2-(dimethylamino)-3,5-difluorophenyl]methylidene]ruthenium;dichloro-[[2-(dimethylamino)-5-nitrophenyl]methylidene]ruthenium;dichloro-[[2-[methyl(propan-2-yl)amino]-5-nitrophenyl]methylidene]ruthenium;dichloro-[[5-nitro-2-(propan-2-ylamino)phenyl]methylidene]ruthenium;dichloro-[[5-(4-nitrosooxy-1,4-oxathian-4-yl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;bis(tricyclohexylphosphanium).

Molecular Properties

• Compound Name: tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);[2-butan-2-yloxy-5-(4-nitrosooxy-1,4-oxathian-4-yl)phenyl]methylidene-dichlororuthenium;dichloro-[[2-(dimethylamino)-3,5-difluorophenyl]methylidene]ruthenium;dichloro-[[2-(dimethylamino)-5-nitrophenyl]methylidene]ruthenium;dichloro-[[2-[methyl(propan-2-yl)amino]-5-nitrophenyl]methylidene]ruthenium;dichloro-[[5-nitro-2-(propan-2-ylamino)phenyl]methylidene]ruthenium;dichloro-[[5-(4-nitrosooxy-1,4-oxathian-4-yl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;bis(tricyclohexylphosphanium)
• PubChem CID: 157284686
• Molecular Formula: C188H261Cl12F2N17O14P2Ru6S2-2
• Molecular Weight: 4179.19 g/mol
• Exact Mass: 4175.97
• IUPAC Name: tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);[2-butan-2-yloxy-5-(4-nitrosooxy-1,4-oxathian-4-yl)phenyl]methylidene-dichlororuthenium;dichloro-[[2-(dimethylamino)-3,5-difluorophenyl]methylidene]ruthenium;dichloro-[[2-(dimethylamino)-5-nitrophenyl]methylidene]ruthenium;dichloro-[[2-[methyl(propan-2-yl)amino]-5-nitrophenyl]methylidene]ruthenium;dichloro-[[5-nitro-2-(propan-2-ylamino)phenyl]methylidene]ruthenium;dichloro-[[5-(4-nitrosooxy-1,4-oxathian-4-yl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;bis(tricyclohexylphosphanium)
• SMILES: C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)N(C)c1ccc([N+](=O)[O-])cc1C=[Ru](Cl)Cl.CC(C)Nc1ccc([N+](=O)[O-])cc1C=[Ru](Cl)Cl.CC(C)Oc1ccc(S2(ON=O)CCOCC2)cc1C=[Ru](Cl)Cl.CCC(C)Oc1ccc(S2(ON=O)CCOCC2)cc1C=[Ru](Cl)Cl.CN(C)c1c(F)cc(F)cc1C=[Ru](Cl)Cl.CN(C)c1ccc([N+](=O)[O-])cc1C=[Ru](Cl)Cl.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
• InChI: InChI=1S/4C21H27N2.2C18H33P.C15H21NO4S.C14H19NO4S.C11H14N2O2.C10H12N2O2.C9H9F2N.C9H10N2O2.12ClH.6Ru/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;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-13(3)19-15-6-5-14(11-12(15)2)21(20-16-17)9-7-18-8-10-21;1-11(2)18-14-5-4-13(10-12(14)3)20(19-15-16)8-6-17-7-9-20;1-8(2)12(4)11-6-5-10(13(14)15)7-9(11)3;1-7(2)11-10-5-4-9(12(13)14)6-8(10)3;1-6-4-7(10)5-8(11)9(6)12(2)3;1-7-6-8(11(12)13)4-5-9(7)10(2)3;;;;;;;;;;;;;;;;;;/h4*9-13H,7-8H2,1-6H3;2*16-18H,1-15H2;2,5-6,11,13H,4,7-10H2,1,3H3;3-5,10-11H,6-9H2,1-2H3;3,5-8H,1-2,4H3;3-7,11H,1-2H3;1,4-5H,2-3H3;1,4-6H,2-3H3;12*1H;;;;;;/q4*-1;;;;;;;;;;;;;;;;;;;;;6*+2/p-10
• InChIKey: XDOPWAMEFJETKZ-UHFFFAOYSA-D
• XLogP: 54.28
• TPSA: 291.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4179.19
LogP ≤ 5	54.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);[2-butan-2-yloxy-5-(4-nitrosooxy-1,4-oxathian-4-yl)phenyl]methylidene-dichlororuthenium;dichloro-[[2-(dimethylamino)-3,5-difluorophenyl]methylidene]ruthenium;dichloro-[[2-(dimethylamino)-5-nitrophenyl]methylidene]ruthenium;dichloro-[[2-[methyl(propan-2-yl)amino]-5-nitrophenyl]methylidene]ruthenium;dichloro-[[5-nitro-2-(propan-2-ylamino)phenyl]methylidene]ruthenium;dichloro-[[5-(4-nitrosooxy-1,4-oxathian-4-yl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;bis(tricyclohexylphosphanium)?

The IUPAC name of tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);[2-butan-2-yloxy-5-(4-nitrosooxy-1,4-oxathian-4-yl)phenyl]methylidene-dichlororuthenium;dichloro-[[2-(dimethylamino)-3,5-difluorophenyl]methylidene]ruthenium;dichloro-[[2-(dimethylamino)-5-nitrophenyl]methylidene]ruthenium;dichloro-[[2-[methyl(propan-2-yl)amino]-5-nitrophenyl]methylidene]ruthenium;dichloro-[[5-nitro-2-(propan-2-ylamino)phenyl]methylidene]ruthenium;dichloro-[[5-(4-nitrosooxy-1,4-oxathian-4-yl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;bis(tricyclohexylphosphanium) (CID 157284686) is tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);[2-butan-2-yloxy-5-(4-nitrosooxy-1,4-oxathian-4-yl)phenyl]methylidene-dichlororuthenium;dichloro-[[2-(dimethylamino)-3,5-difluorophenyl]methylidene]ruthenium;dichloro-[[2-(dimethylamino)-5-nitrophenyl]methylidene]ruthenium;dichloro-[[2-[methyl(propan-2-yl)amino]-5-nitrophenyl]methylidene]ruthenium;dichloro-[[5-nitro-2-(propan-2-ylamino)phenyl]methylidene]ruthenium;dichloro-[[5-(4-nitrosooxy-1,4-oxathian-4-yl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;bis(tricyclohexylphosphanium).

What is the SMILES notation for tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);[2-butan-2-yloxy-5-(4-nitrosooxy-1,4-oxathian-4-yl)phenyl]methylidene-dichlororuthenium;dichloro-[[2-(dimethylamino)-3,5-difluorophenyl]methylidene]ruthenium;dichloro-[[2-(dimethylamino)-5-nitrophenyl]methylidene]ruthenium;dichloro-[[2-[methyl(propan-2-yl)amino]-5-nitrophenyl]methylidene]ruthenium;dichloro-[[5-nitro-2-(propan-2-ylamino)phenyl]methylidene]ruthenium;dichloro-[[5-(4-nitrosooxy-1,4-oxathian-4-yl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;bis(tricyclohexylphosphanium)?

The canonical SMILES for tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);[2-butan-2-yloxy-5-(4-nitrosooxy-1,4-oxathian-4-yl)phenyl]methylidene-dichlororuthenium;dichloro-[[2-(dimethylamino)-3,5-difluorophenyl]methylidene]ruthenium;dichloro-[[2-(dimethylamino)-5-nitrophenyl]methylidene]ruthenium;dichloro-[[2-[methyl(propan-2-yl)amino]-5-nitrophenyl]methylidene]ruthenium;dichloro-[[5-nitro-2-(propan-2-ylamino)phenyl]methylidene]ruthenium;dichloro-[[5-(4-nitrosooxy-1,4-oxathian-4-yl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;bis(tricyclohexylphosphanium) is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)N(C)c1ccc([N+](=O)[O-])cc1C=[Ru](Cl)Cl.CC(C)Nc1ccc([N+](=O)[O-])cc1C=[Ru](Cl)Cl.CC(C)Oc1ccc(S2(ON=O)CCOCC2)cc1C=[Ru](Cl)Cl.CCC(C)Oc1ccc(S2(ON=O)CCOCC2)cc1C=[Ru](Cl)Cl.CN(C)c1c(F)cc(F)cc1C=[Ru](Cl)Cl.CN(C)c1ccc([N+](=O)[O-])cc1C=[Ru](Cl)Cl.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.

What is the InChIKey of tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);[2-butan-2-yloxy-5-(4-nitrosooxy-1,4-oxathian-4-yl)phenyl]methylidene-dichlororuthenium;dichloro-[[2-(dimethylamino)-3,5-difluorophenyl]methylidene]ruthenium;dichloro-[[2-(dimethylamino)-5-nitrophenyl]methylidene]ruthenium;dichloro-[[2-[methyl(propan-2-yl)amino]-5-nitrophenyl]methylidene]ruthenium;dichloro-[[5-nitro-2-(propan-2-ylamino)phenyl]methylidene]ruthenium;dichloro-[[5-(4-nitrosooxy-1,4-oxathian-4-yl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;bis(tricyclohexylphosphanium)?

The InChIKey is XDOPWAMEFJETKZ-UHFFFAOYSA-D. The full InChI is InChI=1S/4C21H27N2.2C18H33P.C15H21NO4S.C14H19NO4S.C11H14N2O2.C10H12N2O2.C9H9F2N.C9H10N2O2.12ClH.6Ru/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;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-13(3)19-15-6-5-14(11-12(15)2)21(20-16-17)9-7-18-8-10-21;1-11(2)18-14-5-4-13(10-12(14)3)20(19-15-16)8-6-17-7-9-20;1-8(2)12(4)11-6-5-10(13(14)15)7-9(11)3;1-7(2)11-10-5-4-9(12(13)14)6-8(10)3;1-6-4-7(10)5-8(11)9(6)12(2)3;1-7-6-8(11(12)13)4-5-9(7)10(2)3;;;;;;;;;;;;;;;;;;/h4*9-13H,7-8H2,1-6H3;2*16-18H,1-15H2;2,5-6,11,13H,4,7-10H2,1,3H3;3-5,10-11H,6-9H2,1-2H3;3,5-8H,1-2,4H3;3-7,11H,1-2H3;1,4-5H,2-3H3;1,4-6H,2-3H3;12*1H;;;;;;/q4*-1;;;;;;;;;;;;;;;;;;;;;6*+2/p-10.

What are the key properties of tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);[2-butan-2-yloxy-5-(4-nitrosooxy-1,4-oxathian-4-yl)phenyl]methylidene-dichlororuthenium;dichloro-[[2-(dimethylamino)-3,5-difluorophenyl]methylidene]ruthenium;dichloro-[[2-(dimethylamino)-5-nitrophenyl]methylidene]ruthenium;dichloro-[[2-[methyl(propan-2-yl)amino]-5-nitrophenyl]methylidene]ruthenium;dichloro-[[5-nitro-2-(propan-2-ylamino)phenyl]methylidene]ruthenium;dichloro-[[5-(4-nitrosooxy-1,4-oxathian-4-yl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;bis(tricyclohexylphosphanium)?

tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);[2-butan-2-yloxy-5-(4-nitrosooxy-1,4-oxathian-4-yl)phenyl]methylidene-dichlororuthenium;dichloro-[[2-(dimethylamino)-3,5-difluorophenyl]methylidene]ruthenium;dichloro-[[2-(dimethylamino)-5-nitrophenyl]methylidene]ruthenium;dichloro-[[2-[methyl(propan-2-yl)amino]-5-nitrophenyl]methylidene]ruthenium;dichloro-[[5-nitro-2-(propan-2-ylamino)phenyl]methylidene]ruthenium;dichloro-[[5-(4-nitrosooxy-1,4-oxathian-4-yl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;bis(tricyclohexylphosphanium) has a molecular weight of 4179.19 g/mol, XLogP of 54.28, 40 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);[2-butan-2-yloxy-5-(4-nitrosooxy-1,4-oxathian-4-yl)phenyl]methylidene-dichlororuthenium;dichloro-[[2-(dimethylamino)-3,5-difluorophenyl]methylidene]ruthenium;dichloro-[[2-(dimethylamino)-5-nitrophenyl]methylidene]ruthenium;dichloro-[[2-[methyl(propan-2-yl)amino]-5-nitrophenyl]methylidene]ruthenium;dichloro-[[5-nitro-2-(propan-2-ylamino)phenyl]methylidene]ruthenium;dichloro-[[5-(4-nitrosooxy-1,4-oxathian-4-yl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;bis(tricyclohexylphosphanium) is sourced from PubChem (CID 157284686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).