tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium)

C196H261Br2Cl10N12O2P2Ru5-3 — CID 163768299

About tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium)

tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium) (PubChem CID 163768299) has the molecular formula C196H261Br2Cl10N12O2P2Ru5-3 and a molecular weight of 3898.96 g/mol. Its IUPAC name is tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium).

Molecular Properties

• Compound Name: tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium)
• PubChem CID: 163768299
• Molecular Formula: C196H261Br2Cl10N12O2P2Ru5-3
• Molecular Weight: 3898.96 g/mol
• Exact Mass: 3894.07
• IUPAC Name: tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium)
• SMILES: Brc1cccnc1.Brc1cccnc1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1ccccc1N1[CH-]N(c2ccccc2C)CC1.Cc1ccccc1N1[CH-]N(c2ccccc2C)CC1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1
• InChI: InChI=1S/2C27H39N2.C21H27N2.2C18H33P.2C17H19N2.2C10H12O.3C7H6.2C5H4BrN.10ClH.5Ru/c2*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;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;2*1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2;2*1-8(2)11-10-7-5-4-6-9(10)3;3*1-7-5-3-2-4-6-7;2*6-5-2-1-3-7-4-5;;;;;;;;;;;;;;;/h2*9-14,17-21H,15-16H2,1-8H3;9-13H,7-8H2,1-6H3;2*16-18H,1-15H2;2*3-10,13H,11-12H2,1-2H3;2*3-8H,1-2H3;3*1-6H;2*1-4H;10*1H;;;;;/q3*-1;;;2*-1;;;;;;;;;;;;;;;;;;5*+2/p-8
• InChIKey: DGQSSEVUYNYHKE-UHFFFAOYSA-F
• XLogP: 59.21
• TPSA: 76.64 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 33
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3898.96
LogP ≤ 5	59.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium)?

The IUPAC name of tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium) (CID 163768299) is tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium).

What is the SMILES notation for tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium)?

The canonical SMILES for tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium) is Brc1cccnc1.Brc1cccnc1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1ccccc1N1[CH-]N(c2ccccc2C)CC1.Cc1ccccc1N1[CH-]N(c2ccccc2C)CC1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.

What is the InChIKey of tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium)?

The InChIKey is DGQSSEVUYNYHKE-UHFFFAOYSA-F. The full InChI is InChI=1S/2C27H39N2.C21H27N2.2C18H33P.2C17H19N2.2C10H12O.3C7H6.2C5H4BrN.10ClH.5Ru/c2*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;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;2*1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2;2*1-8(2)11-10-7-5-4-6-9(10)3;3*1-7-5-3-2-4-6-7;2*6-5-2-1-3-7-4-5;;;;;;;;;;;;;;;/h2*9-14,17-21H,15-16H2,1-8H3;9-13H,7-8H2,1-6H3;2*16-18H,1-15H2;2*3-10,13H,11-12H2,1-2H3;2*3-8H,1-2H3;3*1-6H;2*1-4H;10*1H;;;;;/q3*-1;;;2*-1;;;;;;;;;;;;;;;;;;5*+2/p-8.

What are the key properties of tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium)?

tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium) has a molecular weight of 3898.96 g/mol, XLogP of 59.21, 33 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium) is sourced from PubChem (CID 163768299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).