pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium

C223H281Cl12F3N17O10PRu6+2 — CID 161465175

IUPACpentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)[OH+]c1ccccc1NCc1ccc(F)cc1C=[Ru](Cl)Cl.CC(C)[OH+]c1ccccc1NCc1ccc([N+](=O)[O-])cc1C=[Ru](Cl)Cl.COc1ccc(CNc2ccccc2[OH+]C(C)C)c(C=[Ru](Cl)Cl)c1.COc1ccc(CNc2ccccc2[OH+]C(C)C)c(C=[Ru](Cl)Cl)c1.C[OH+]c1ccccc1NCc1ccc(F)cc1C=[Ru](Cl)Cl.C[OH+]c1ccccc1NCc1ccc(F)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.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/5C21H27N2.2C18H21NO2.C18H33P.C17H18FNO.C17H18N2O3.2C15H14FNO.12ClH.6Ru/c5*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*1-13(2)21-18-8-6-5-7-17(18)19-12-15-9-10-16(20-4)11-14(15)3;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(2)20-17-7-5-4-6-16(17)19-11-14-8-9-15(18)10-13(14)3;1-12(2)22-17-7-5-4-6-16(17)18-11-14-8-9-15(19(20)21)10-13(14)3;2*1-11-9-13(16)8-7-12(11)10-17-14-5-3-4-6-15(14)18-2;;;;;;;;;;;;;;;;;;/h5*9-13H,7-8H2,1-6H3;2*3,5-11,13,19H,12H2,1-2,4H3;16-18H,1-15H2;3-10,12,19H,11H2,1-2H3;3-10,12,18H,11H2,1-2H3;2*1,3-9,17H,10H2,2H3;12*1H;;;;;;/q5*-1;;;;;;;;;;;;;;;;;;;;6*+2/p-5
InChIKeyPQKZOHAMZGHYRQ-UHFFFAOYSA-I
MW4479.63 g/mol
LogP60.05
Rot. Bonds50

About pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium

pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium (PubChem CID 161465175) has the molecular formula C223H281Cl12F3N17O10PRu6+2 and a molecular weight of 4479.63 g/mol. Its IUPAC name is pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium.

Molecular Properties

Compound Namepentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium
PubChem CID161465175
Molecular FormulaC223H281Cl12F3N17O10PRu6+2
Molecular Weight4479.63 g/mol
Exact Mass4476.22
IUPAC Namepentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)[OH+]c1ccccc1NCc1ccc(F)cc1C=[Ru](Cl)Cl.CC(C)[OH+]c1ccccc1NCc1ccc([N+](=O)[O-])cc1C=[Ru](Cl)Cl.COc1ccc(CNc2ccccc2[OH+]C(C)C)c(C=[Ru](Cl)Cl)c1.COc1ccc(CNc2ccccc2[OH+]C(C)C)c(C=[Ru](Cl)Cl)c1.C[OH+]c1ccccc1NCc1ccc(F)cc1C=[Ru](Cl)Cl.C[OH+]c1ccccc1NCc1ccc(F)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.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/5C21H27N2.2C18H21NO2.C18H33P.C17H18FNO.C17H18N2O3.2C15H14FNO.12ClH.6Ru/c5*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*1-13(2)21-18-8-6-5-7-17(18)19-12-15-9-10-16(20-4)11-14(15)3;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(2)20-17-7-5-4-6-16(17)19-11-14-8-9-15(18)10-13(14)3;1-12(2)22-17-7-5-4-6-16(17)18-11-14-8-9-15(19(20)21)10-13(14)3;2*1-11-9-13(16)8-7-12(11)10-17-14-5-3-4-6-15(14)18-2;;;;;;;;;;;;;;;;;;/h5*9-13H,7-8H2,1-6H3;2*3,5-11,13,19H,12H2,1-2,4H3;16-18H,1-15H2;3-10,12,19H,11H2,1-2H3;3-10,12,18H,11H2,1-2H3;2*1,3-9,17H,10H2,2H3;12*1H;;;;;;/q5*-1;;;;;;;;;;;;;;;;;;;;6*+2/p-5
InChIKeyPQKZOHAMZGHYRQ-UHFFFAOYSA-I
XLogP60.05
TPSA242.98 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds50
Heavy Atoms272
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004479.63
LogP ≤ 560.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium?
The IUPAC name of pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium (CID 161465175) is pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium.
What is the SMILES notation for pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium?
The canonical SMILES for pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)[OH+]c1ccccc1NCc1ccc(F)cc1C=[Ru](Cl)Cl.CC(C)[OH+]c1ccccc1NCc1ccc([N+](=O)[O-])cc1C=[Ru](Cl)Cl.COc1ccc(CNc2ccccc2[OH+]C(C)C)c(C=[Ru](Cl)Cl)c1.COc1ccc(CNc2ccccc2[OH+]C(C)C)c(C=[Ru](Cl)Cl)c1.C[OH+]c1ccccc1NCc1ccc(F)cc1C=[Ru](Cl)Cl.C[OH+]c1ccccc1NCc1ccc(F)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.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.
What is the InChIKey of pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium?
The InChIKey is PQKZOHAMZGHYRQ-UHFFFAOYSA-I. The full InChI is InChI=1S/5C21H27N2.2C18H21NO2.C18H33P.C17H18FNO.C17H18N2O3.2C15H14FNO.12ClH.6Ru/c5*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*1-13(2)21-18-8-6-5-7-17(18)19-12-15-9-10-16(20-4)11-14(15)3;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(2)20-17-7-5-4-6-16(17)19-11-14-8-9-15(18)10-13(14)3;1-12(2)22-17-7-5-4-6-16(17)18-11-14-8-9-15(19(20)21)10-13(14)3;2*1-11-9-13(16)8-7-12(11)10-17-14-5-3-4-6-15(14)18-2;;;;;;;;;;;;;;;;;;/h5*9-13H,7-8H2,1-6H3;2*3,5-11,13,19H,12H2,1-2,4H3;16-18H,1-15H2;3-10,12,19H,11H2,1-2H3;3-10,12,18H,11H2,1-2H3;2*1,3-9,17H,10H2,2H3;12*1H;;;;;;/q5*-1;;;;;;;;;;;;;;;;;;;;6*+2/p-5.
What are the key properties of pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium?
pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium has a molecular weight of 4479.63 g/mol, XLogP of 60.05, 50 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-fluoro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;bis(dichloro-[[5-methoxy-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium);dichloro-[[5-nitro-2-[(2-propan-2-yloxonioanilino)methyl]phenyl]methylidene]ruthenium;tricyclohexylphosphanium is sourced from PubChem (CID 161465175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).