1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium)

C210H292Cl11N13O11P3Ru6-2 — CID 161445120

IUPAC1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)Oc1ccc([N+](=O)[O-])cc1/C=[Ru]\Cl.CC(C)Oc1ccc([N+](=O)[O-])cc1C=[Ru](Cl)Cl.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(C34[CH-]C5CC(CC(C5)C3)C4)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.Cc1ccccc1N1[CH-]N(c2ccccc2C)CC1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.O=[N+](O)O
InChIInChI=1S/C22H30N2.3C21H27N2.3C18H33P.C17H19N2.2C10H11NO3.2C10H12O.2C7H6.11ClH.H2NO3.6Ru/c1-15-6-16(2)21(17(3)7-15)23-4-5-24(14-23)22-11-18-8-19(12-22)10-20(9-18)13-22;3*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*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2;2*1-7(2)14-10-5-4-9(11(12)13)6-8(10)3;2*1-8(2)11-10-7-5-4-6-9(10)3;2*1-7-5-3-2-4-6-7;;;;;;;;;;;;2-1(3)4;;;;;;/h6-7,11,14,18-20H,4-5,8-10,12-13H2,1-3H3;3*9-13H,7-8H2,1-6H3;3*16-18H,1-15H2;3-10,13H,11-12H2,1-2H3;2*3-7H,1-2H3;2*3-8H,1-2H3;2*1-6H;11*1H;(H2,2,3,4);;;;;;/q-2;3*-1;;;;-1;;;;;;;;;;;;;;;;;;2*+1;5*+2/p-8
InChIKeyQDUTXCFRUDLZJA-UHFFFAOYSA-F
MW4264.05 g/mol
LogP60.33
Rot. Bonds35

About 1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium)

1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium) (PubChem CID 161445120) has the molecular formula C210H292Cl11N13O11P3Ru6-2 and a molecular weight of 4264.05 g/mol. Its IUPAC name is 1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium).

Molecular Properties

Compound Name1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium)
PubChem CID161445120
Molecular FormulaC210H292Cl11N13O11P3Ru6-2
Molecular Weight4264.05 g/mol
Exact Mass4261.27
IUPAC Name1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)Oc1ccc([N+](=O)[O-])cc1/C=[Ru]\Cl.CC(C)Oc1ccc([N+](=O)[O-])cc1C=[Ru](Cl)Cl.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(C34[CH-]C5CC(CC(C5)C3)C4)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.Cc1ccccc1N1[CH-]N(c2ccccc2C)CC1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.O=[N+](O)O
InChIInChI=1S/C22H30N2.3C21H27N2.3C18H33P.C17H19N2.2C10H11NO3.2C10H12O.2C7H6.11ClH.H2NO3.6Ru/c1-15-6-16(2)21(17(3)7-15)23-4-5-24(14-23)22-11-18-8-19(12-22)10-20(9-18)13-22;3*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*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2;2*1-7(2)14-10-5-4-9(11(12)13)6-8(10)3;2*1-8(2)11-10-7-5-4-6-9(10)3;2*1-7-5-3-2-4-6-7;;;;;;;;;;;;2-1(3)4;;;;;;/h6-7,11,14,18-20H,4-5,8-10,12-13H2,1-3H3;3*9-13H,7-8H2,1-6H3;3*16-18H,1-15H2;3-10,13H,11-12H2,1-2H3;2*3-7H,1-2H3;2*3-8H,1-2H3;2*1-6H;11*1H;(H2,2,3,4);;;;;;/q-2;3*-1;;;;-1;;;;;;;;;;;;;;;;;;2*+1;5*+2/p-8
InChIKeyQDUTXCFRUDLZJA-UHFFFAOYSA-F
XLogP60.33
TPSA216.14 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds35
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004264.05
LogP ≤ 560.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium)?
The IUPAC name of 1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium) (CID 161445120) is 1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium).
What is the SMILES notation for 1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium)?
The canonical SMILES for 1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium) is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)Oc1ccc([N+](=O)[O-])cc1/C=[Ru]\Cl.CC(C)Oc1ccc([N+](=O)[O-])cc1C=[Ru](Cl)Cl.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(C34[CH-]C5CC(CC(C5)C3)C4)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.Cc1ccccc1N1[CH-]N(c2ccccc2C)CC1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.O=[N+](O)O.
What is the InChIKey of 1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium)?
The InChIKey is QDUTXCFRUDLZJA-UHFFFAOYSA-F. The full InChI is InChI=1S/C22H30N2.3C21H27N2.3C18H33P.C17H19N2.2C10H11NO3.2C10H12O.2C7H6.11ClH.H2NO3.6Ru/c1-15-6-16(2)21(17(3)7-15)23-4-5-24(14-23)22-11-18-8-19(12-22)10-20(9-18)13-22;3*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*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2;2*1-7(2)14-10-5-4-9(11(12)13)6-8(10)3;2*1-8(2)11-10-7-5-4-6-9(10)3;2*1-7-5-3-2-4-6-7;;;;;;;;;;;;2-1(3)4;;;;;;/h6-7,11,14,18-20H,4-5,8-10,12-13H2,1-3H3;3*9-13H,7-8H2,1-6H3;3*16-18H,1-15H2;3-10,13H,11-12H2,1-2H3;2*3-7H,1-2H3;2*3-8H,1-2H3;2*1-6H;11*1H;(H2,2,3,4);;;;;;/q-2;3*-1;;;;-1;;;;;;;;;;;;;;;;;;2*+1;5*+2/p-8.
What are the key properties of 1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium)?
1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium) has a molecular weight of 4264.05 g/mol, XLogP of 60.33, 35 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium) is sourced from PubChem (CID 161445120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).