hexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine)

C244H270Br4Cl12N24Ru6-6 — CID 159401909

IUPAChexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine)
SMILESBrc1cccnc1.Brc1cccnc1.Brc1cccnc1.Brc1cccnc1.C.C.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)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.Cc1ccncc1.Cc1ccncc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C21H27N2.2C21H25N2.2C11H9N.6C7H6.2C6H7N.4C5H4BrN.4C5H5N.2CH4.12ClH.6Ru/c6*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*1-2-4-10(5-3-1)11-6-8-12-9-7-11;6*1-7-5-3-2-4-6-7;2*1-6-2-4-7-5-3-6;4*6-5-2-1-3-7-4-5;4*1-2-4-6-5-3-1;;;;;;;;;;;;;;;;;;;;/h4*9-13H,7-8H2,1-6H3;2*7-13H,1-6H3;2*1-9H;6*1-6H;2*2-5H,1H3;4*1-4H;4*1-5H;2*1H4;12*1H;;;;;;/q6*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*+2/p-12
InChIKeyKRIQACJMQTUBCA-UHFFFAOYSA-B
MW4890.48 g/mol
LogP68.67
Rot. Bonds20

About hexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine)

hexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine) (PubChem CID 159401909) has the molecular formula C244H270Br4Cl12N24Ru6-6 and a molecular weight of 4890.48 g/mol. Its IUPAC name is hexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine).

Molecular Properties

Compound Namehexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine)
PubChem CID159401909
Molecular FormulaC244H270Br4Cl12N24Ru6-6
Molecular Weight4890.48 g/mol
Exact Mass4882.92
IUPAC Namehexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine)
SMILESBrc1cccnc1.Brc1cccnc1.Brc1cccnc1.Brc1cccnc1.C.C.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)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.Cc1ccncc1.Cc1ccncc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C21H27N2.2C21H25N2.2C11H9N.6C7H6.2C6H7N.4C5H4BrN.4C5H5N.2CH4.12ClH.6Ru/c6*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*1-2-4-10(5-3-1)11-6-8-12-9-7-11;6*1-7-5-3-2-4-6-7;2*1-6-2-4-7-5-3-6;4*6-5-2-1-3-7-4-5;4*1-2-4-6-5-3-1;;;;;;;;;;;;;;;;;;;;/h4*9-13H,7-8H2,1-6H3;2*7-13H,1-6H3;2*1-9H;6*1-6H;2*2-5H,1H3;4*1-4H;4*1-5H;2*1H4;12*1H;;;;;;/q6*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*+2/p-12
InChIKeyKRIQACJMQTUBCA-UHFFFAOYSA-B
XLogP68.67
TPSA193.56 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004890.48
LogP ≤ 568.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze hexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);bis(3-bromopyridine);tetrakis(pyridine)
CID 161349957
octakis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(3-bromopyridine);dichloro(3-methylbut-2-enylidene)ruthenium;bis(4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(4-methylpyridine);tris(4-phenylpyridine);bis(pyridine)
CID 161407226
benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine)
CID 162285779
benzylidene(dichloro)ruthenium;bis(pyridine);1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrol-2-ide
CID 59566369
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-(3-phenylinden-1-ylidene)ruthenium;pyridine
CID 59574881
benzylidene(dichloro)ruthenium;bis(3-bromopyridine);1-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]imidazolidin-2-ide
CID 140694130
benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)
CID 159934020
pentakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);3-bromopyridine;bis(dichloro(fluoren-9-ylidenemethylidene)ruthenium);hexakis(dichloro(fluoren-9-ylidene)ruthenium);pyridine;hexakis(tricyclohexylphosphanium);tris(triphenylphosphanium)
CID 158172539
benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine)
CID 20740760
tetrakis(benzylidene(dichloro)ruthenium);bis(3-bromopyridine);cyclopentane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;tetrakis(tricyclohexylphosphanium);tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)
CID 160899597
bis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;carbanide;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium
CID 160554229
benzylidene(dichloro)ruthenium;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-bromo-2-methylpropanoate;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-methyl-2-thiophosphorosopropanoate;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);3,6-dimethyl-1,4-dioxane-2,5-dione;[(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;[(2R,3S)-3-(2-hydroxypropanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;styrene
CID 158651141

Frequently Asked Questions

What is the IUPAC name of hexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine)?
The IUPAC name of hexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine) (CID 159401909) is hexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine).
What is the SMILES notation for hexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine)?
The canonical SMILES for hexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine) is Brc1cccnc1.Brc1cccnc1.Brc1cccnc1.Brc1cccnc1.C.C.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)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.Cc1ccncc1.Cc1ccncc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of hexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine)?
The InChIKey is KRIQACJMQTUBCA-UHFFFAOYSA-B. The full InChI is InChI=1S/4C21H27N2.2C21H25N2.2C11H9N.6C7H6.2C6H7N.4C5H4BrN.4C5H5N.2CH4.12ClH.6Ru/c6*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*1-2-4-10(5-3-1)11-6-8-12-9-7-11;6*1-7-5-3-2-4-6-7;2*1-6-2-4-7-5-3-6;4*6-5-2-1-3-7-4-5;4*1-2-4-6-5-3-1;;;;;;;;;;;;;;;;;;;;/h4*9-13H,7-8H2,1-6H3;2*7-13H,1-6H3;2*1-9H;6*1-6H;2*2-5H,1H3;4*1-4H;4*1-5H;2*1H4;12*1H;;;;;;/q6*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*+2/p-12.
What are the key properties of hexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine)?
hexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine) has a molecular weight of 4890.48 g/mol, XLogP of 68.67, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine) is sourced from PubChem (CID 159401909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).