[2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium

C180H206Cl10F3N16O4Ru5-5 — CID 160714425

IUPAC[2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium
SMILESCOc1ccc(NCc2ccc(F)cc2C=[Ru](Cl)Cl)cc1.COc1ccc(NCc2ccc([N+](=O)[O-])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.Cc1cccc(C)c1NCc1ccc(F)cc1C=[Ru](Cl)Cl.Cc1ccccc1NCc1ccc(F)cc1C=[Ru](Cl)Cl.Cl[Ru](Cl)=Cc1ccccc1CNc1ccccc1
InChIInChI=1S/5C21H27N2.C16H16FN.C15H14FNO.C15H14FN.C15H14N2O3.C14H13N.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;1-11-5-4-6-12(2)16(11)18-10-14-7-8-15(17)9-13(14)3;1-11-9-13(16)4-3-12(11)10-17-14-5-7-15(18-2)8-6-14;1-11-5-3-4-6-15(11)17-10-13-7-8-14(16)9-12(13)2;1-11-9-14(17(18)19)6-3-12(11)10-16-13-4-7-15(20-2)8-5-13;1-12-7-5-6-8-13(12)11-15-14-9-3-2-4-10-14;;;;;;;;;;;;;;;/h5*9-13H,7-8H2,1-6H3;3-9,18H,10H2,1-2H3;1,3-9,17H,10H2,2H3;2-9,17H,10H2,1H3;1,3-9,16H,10H2,2H3;1-10,15H,11H2;10*1H;;;;;/q5*-1;;;;;;;;;;;;;;;;5*+2/p-10
InChIKeyPDKSKBNHIWBYAI-UHFFFAOYSA-D
MW3574.61 g/mol
LogP48.06
Rot. Bonds33

About [2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium

[2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium (PubChem CID 160714425) has the molecular formula C180H206Cl10F3N16O4Ru5-5 and a molecular weight of 3574.61 g/mol. Its IUPAC name is [2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium.

Molecular Properties

Compound Name[2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium
PubChem CID160714425
Molecular FormulaC180H206Cl10F3N16O4Ru5-5
Molecular Weight3574.61 g/mol
Exact Mass3571.85
IUPAC Name[2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium
SMILESCOc1ccc(NCc2ccc(F)cc2C=[Ru](Cl)Cl)cc1.COc1ccc(NCc2ccc([N+](=O)[O-])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.Cc1cccc(C)c1NCc1ccc(F)cc1C=[Ru](Cl)Cl.Cc1ccccc1NCc1ccc(F)cc1C=[Ru](Cl)Cl.Cl[Ru](Cl)=Cc1ccccc1CNc1ccccc1
InChIInChI=1S/5C21H27N2.C16H16FN.C15H14FNO.C15H14FN.C15H14N2O3.C14H13N.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;1-11-5-4-6-12(2)16(11)18-10-14-7-8-15(17)9-13(14)3;1-11-9-13(16)4-3-12(11)10-17-14-5-7-15(18-2)8-6-14;1-11-5-3-4-6-15(11)17-10-13-7-8-14(16)9-12(13)2;1-11-9-14(17(18)19)6-3-12(11)10-16-13-4-7-15(20-2)8-5-13;1-12-7-5-6-8-13(12)11-15-14-9-3-2-4-10-14;;;;;;;;;;;;;;;/h5*9-13H,7-8H2,1-6H3;3-9,18H,10H2,1-2H3;1,3-9,17H,10H2,2H3;2-9,17H,10H2,1H3;1,3-9,16H,10H2,2H3;1-10,15H,11H2;10*1H;;;;;/q5*-1;;;;;;;;;;;;;;;;5*+2/p-10
InChIKeyPDKSKBNHIWBYAI-UHFFFAOYSA-D
XLogP48.06
TPSA154.15 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds33
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003574.61
LogP ≤ 548.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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'}

Analyze [2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium with MolForge

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Related Compounds

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
dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium;1-methylsulfanyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
CID 153290807
5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol
CID 61261387
N-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline
CID 62332093
N-[(2,4-dinitrophenyl)methyl]-2-methylaniline
CID 66221993
N-[(5-fluoro-2-nitrophenyl)methyl]-2,6-dimethylaniline
CID 62332074
1-benzyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153489728
4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline
CID 43212586
4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]aniline
CID 60961293
dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
CID 20767012
2,6-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 60688842
2-[(2-methylphenyl)methylamino]-5-nitrobenzoic acid
CID 60661537

Frequently Asked Questions

What is the IUPAC name of [2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium?
The IUPAC name of [2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium (CID 160714425) is [2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium.
What is the SMILES notation for [2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium?
The canonical SMILES for [2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium is COc1ccc(NCc2ccc(F)cc2C=[Ru](Cl)Cl)cc1.COc1ccc(NCc2ccc([N+](=O)[O-])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.Cc1cccc(C)c1NCc1ccc(F)cc1C=[Ru](Cl)Cl.Cc1ccccc1NCc1ccc(F)cc1C=[Ru](Cl)Cl.Cl[Ru](Cl)=Cc1ccccc1CNc1ccccc1.
What is the InChIKey of [2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium?
The InChIKey is PDKSKBNHIWBYAI-UHFFFAOYSA-D. The full InChI is InChI=1S/5C21H27N2.C16H16FN.C15H14FNO.C15H14FN.C15H14N2O3.C14H13N.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;1-11-5-4-6-12(2)16(11)18-10-14-7-8-15(17)9-13(14)3;1-11-9-13(16)4-3-12(11)10-17-14-5-7-15(18-2)8-6-14;1-11-5-3-4-6-15(11)17-10-13-7-8-14(16)9-12(13)2;1-11-9-14(17(18)19)6-3-12(11)10-16-13-4-7-15(20-2)8-5-13;1-12-7-5-6-8-13(12)11-15-14-9-3-2-4-10-14;;;;;;;;;;;;;;;/h5*9-13H,7-8H2,1-6H3;3-9,18H,10H2,1-2H3;1,3-9,17H,10H2,2H3;2-9,17H,10H2,1H3;1,3-9,16H,10H2,2H3;1-10,15H,11H2;10*1H;;;;;/q5*-1;;;;;;;;;;;;;;;;5*+2/p-10.
What are the key properties of [2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium?
[2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium has a molecular weight of 3574.61 g/mol, XLogP of 48.06, 33 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(anilinomethyl)phenyl]methylidene-dichlororuthenium;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[(2,6-dimethylanilino)methyl]-5-fluorophenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(4-methoxyanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[5-fluoro-2-[(2-methylanilino)methyl]phenyl]methylidene]ruthenium;dichloro-[[2-[(4-methoxyanilino)methyl]-5-nitrophenyl]methylidene]ruthenium is sourced from PubChem (CID 160714425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).