2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate

C84H67F18N16P3Ru2-3 — CID 158062065

IUPAC2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate
SMILESCc1c(C)c2cccnc2c2ncccc12.Cc1c(C)c2cccnc2c2ncccc12.Cc1c(C)c2cccnc2c2ncccc12.Cc1c(C)c2cccnc2c2ncccc12.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+].[Ru].c1ccc2[n-]c(-c3nc4ccccc4[nH]3)nc2c1.c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C14H10N4.C14H9N4.4C14H12N2.3F6P.2Ru/c2*1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;4*1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;3*1-7(2,3,4,5)6;;/h1-8H,(H,15,16)(H,17,18);1-8H,(H-,15,16,17,18);4*3-8H,1-2H3;;;;;/q;-1;;;;;3*-1;;+1
InChIKeyFKTQPJVZTGYPAW-UHFFFAOYSA-N
MW1937.60 g/mol
LogP29.58
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate

2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate (PubChem CID 158062065) has the molecular formula C84H67F18N16P3Ru2-3 and a molecular weight of 1937.60 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate
PubChem CID158062065
Molecular FormulaC84H67F18N16P3Ru2-3
Molecular Weight1937.60 g/mol
Exact Mass1938.28
IUPAC Name2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate
SMILESCc1c(C)c2cccnc2c2ncccc12.Cc1c(C)c2cccnc2c2ncccc12.Cc1c(C)c2cccnc2c2ncccc12.Cc1c(C)c2cccnc2c2ncccc12.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+].[Ru].c1ccc2[n-]c(-c3nc4ccccc4[nH]3)nc2c1.c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C14H10N4.C14H9N4.4C14H12N2.3F6P.2Ru/c2*1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;4*1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;3*1-7(2,3,4,5)6;;/h1-8H,(H,15,16)(H,17,18);1-8H,(H-,15,16,17,18);4*3-8H,1-2H3;;;;;/q;-1;;;;;3*-1;;+1
InChIKeyFKTQPJVZTGYPAW-UHFFFAOYSA-N
XLogP29.58
TPSA216.15 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001937.60
LogP ≤ 529.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate with MolForge

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Related Compounds

5-(1H-benzimidazol-2-yl)-8-methylquinoline
CID 168554319
manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate
CID 139176806
2-(1-methylimidazol-2-yl)-1H-benzimidazole
CID 20807349
5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride
CID 90466727
bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate
CID 46835866
5,6-dimethyl-1,7-phenanthroline
CID 67494959
6-methylpyrido[2,3-c][1,5]naphthyridine
CID 163955325
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole
CID 168555207
2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(oxygen(2-));bis(pyridine);uranium
CID 139140868
methyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate
CID 141307850

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate (CID 158062065) is 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate is Cc1c(C)c2cccnc2c2ncccc12.Cc1c(C)c2cccnc2c2ncccc12.Cc1c(C)c2cccnc2c2ncccc12.Cc1c(C)c2cccnc2c2ncccc12.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+].[Ru].c1ccc2[n-]c(-c3nc4ccccc4[nH]3)nc2c1.c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate?
The InChIKey is FKTQPJVZTGYPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4.C14H9N4.4C14H12N2.3F6P.2Ru/c2*1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;4*1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;3*1-7(2,3,4,5)6;;/h1-8H,(H,15,16)(H,17,18);1-8H,(H-,15,16,17,18);4*3-8H,1-2H3;;;;;/q;-1;;;;;3*-1;;+1.
What are the key properties of 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate?
2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate has a molecular weight of 1937.60 g/mol, XLogP of 29.58, 2 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate is sourced from PubChem (CID 158062065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).