pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-chlorophenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[4-fluoro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium

C181H199Cl12FN15O5Ru5-5 — CID 157348880

About pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-chlorophenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[4-fluoro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium

pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-chlorophenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[4-fluoro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium (PubChem CID 157348880) has the molecular formula C181H199Cl12FN15O5Ru5-5 and a molecular weight of 3614.47 g/mol. Its IUPAC name is pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-chlorophenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[4-fluoro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium.

Molecular Properties

• Compound Name: pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-chlorophenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[4-fluoro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium
• PubChem CID: 157348880
• Molecular Formula: C181H199Cl12FN15O5Ru5-5
• Molecular Weight: 3614.47 g/mol
• Exact Mass: 3610.73
• IUPAC Name: pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-chlorophenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[4-fluoro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium
• SMILES: COc1ccc(/C=N/c2ccc(C)cc2)c(C=[Ru](Cl)Cl)c1.COc1ccc(/N=C/c2cc(Cl)ccc2C=[Ru](Cl)Cl)cc1.COc1ccc(/N=C/c2cc(F)ccc2C=[Ru](Cl)Cl)cc1.COc1ccc(/N=C/c2ccc(OC)cc2C=[Ru](Cl)Cl)cc1.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.Clc1ccc(/N=C/c2ccccc2C=[Ru](Cl)Cl)cc1
• InChI: InChI=1S/5C21H27N2.C16H15NO2.C16H15NO.C15H12ClNO.C15H12FNO.C14H10ClN.10ClH.5Ru/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;1-12-10-16(19-3)7-4-13(12)11-17-14-5-8-15(18-2)9-6-14;1-12-4-7-15(8-5-12)17-11-14-6-9-16(18-3)10-13(14)2;2*1-11-3-4-13(16)9-12(11)10-17-14-5-7-15(18-2)8-6-14;1-11-4-2-3-5-12(11)10-16-14-8-6-13(15)7-9-14;;;;;;;;;;;;;;;/h5*9-13H,7-8H2,1-6H3;1,4-11H,2-3H3;2,4-11H,1,3H3;2*1,3-10H,2H3;1-10H;10*1H;;;;;/q5*-1;;;;;;;;;;;;;;;;5*+2/p-10/b;;;;;2*17-11+;2*17-10+;16-10+
• InChIKey: UAKLQNNBUIHKEP-OCRSDJCMSA-D
• XLogP: 49.28
• TPSA: 140.35 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3614.47
LogP ≤ 5	49.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-chlorophenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[4-fluoro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium?

The IUPAC name of pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-chlorophenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[4-fluoro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium (CID 157348880) is pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-chlorophenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[4-fluoro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium.

What is the SMILES notation for pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-chlorophenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[4-fluoro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium?

The canonical SMILES for pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-chlorophenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[4-fluoro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium is COc1ccc(/C=N/c2ccc(C)cc2)c(C=[Ru](Cl)Cl)c1.COc1ccc(/N=C/c2cc(Cl)ccc2C=[Ru](Cl)Cl)cc1.COc1ccc(/N=C/c2cc(F)ccc2C=[Ru](Cl)Cl)cc1.COc1ccc(/N=C/c2ccc(OC)cc2C=[Ru](Cl)Cl)cc1.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.Clc1ccc(/N=C/c2ccccc2C=[Ru](Cl)Cl)cc1.

What is the InChIKey of pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-chlorophenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[4-fluoro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium?

The InChIKey is UAKLQNNBUIHKEP-OCRSDJCMSA-D. The full InChI is InChI=1S/5C21H27N2.C16H15NO2.C16H15NO.C15H12ClNO.C15H12FNO.C14H10ClN.10ClH.5Ru/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;1-12-10-16(19-3)7-4-13(12)11-17-14-5-8-15(18-2)9-6-14;1-12-4-7-15(8-5-12)17-11-14-6-9-16(18-3)10-13(14)2;2*1-11-3-4-13(16)9-12(11)10-17-14-5-7-15(18-2)8-6-14;1-11-4-2-3-5-12(11)10-16-14-8-6-13(15)7-9-14;;;;;;;;;;;;;;;/h5*9-13H,7-8H2,1-6H3;1,4-11H,2-3H3;2,4-11H,1,3H3;2*1,3-10H,2H3;1-10H;10*1H;;;;;/q5*-1;;;;;;;;;;;;;;;;5*+2/p-10/b;;;;;2*17-11+;2*17-10+;16-10+;;;;;;;;;;;;;;;.

What are the key properties of pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-chlorophenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[4-fluoro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium?

pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-chlorophenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[4-fluoro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium has a molecular weight of 3614.47 g/mol, XLogP of 49.28, 30 rotatable bonds, 0 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);dichloro-[[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-chlorophenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[4-fluoro-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenyl]methylidene]ruthenium;dichloro-[[5-methoxy-2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium is sourced from PubChem (CID 157348880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).