bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);bis(1,10-phenanthroline);pyrazine;ruthenium(2+);ruthenium(3+);trihexafluorophosphate

C66H44F18N16P3Ru2 — CID 11980901

IUPACbis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);bis(1,10-phenanthroline);pyrazine;ruthenium(2+);ruthenium(3+);trihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+3].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1.c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnccn1
InChIInChI=1S/2C19H12N5.2C12H8N2.C4H4N2.3F6P.2Ru/c2*1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-4-3-5-1;3*1-7(2,3,4,5)6;;/h2*1-11H,(H-,21,22,23,24);2*1-8H;1-4H;;;;;/q2*-1;;;;3*-1;+2;+3
InChIKeyHSJCEKHJJLACQQ-UHFFFAOYSA-N
MW1698.22 g/mol
LogP23.78
Rot. Bonds4

About bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);bis(1,10-phenanthroline);pyrazine;ruthenium(2+);ruthenium(3+);trihexafluorophosphate

bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);bis(1,10-phenanthroline);pyrazine;ruthenium(2+);ruthenium(3+);trihexafluorophosphate (PubChem CID 11980901) has the molecular formula C66H44F18N16P3Ru2 and a molecular weight of 1698.22 g/mol. Its IUPAC name is bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);bis(1,10-phenanthroline);pyrazine;ruthenium(2+);ruthenium(3+);trihexafluorophosphate.

Molecular Properties

Compound Namebis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);bis(1,10-phenanthroline);pyrazine;ruthenium(2+);ruthenium(3+);trihexafluorophosphate
PubChem CID11980901
Molecular FormulaC66H44F18N16P3Ru2
Molecular Weight1698.22 g/mol
Exact Mass1699.09
IUPAC Namebis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);bis(1,10-phenanthroline);pyrazine;ruthenium(2+);ruthenium(3+);trihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+3].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1.c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnccn1
InChIInChI=1S/2C19H12N5.2C12H8N2.C4H4N2.3F6P.2Ru/c2*1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-4-3-5-1;3*1-7(2,3,4,5)6;;/h2*1-11H,(H-,21,22,23,24);2*1-8H;1-4H;;;;;/q2*-1;;;;3*-1;+2;+3
InChIKeyHSJCEKHJJLACQQ-UHFFFAOYSA-N
XLogP23.78
TPSA214.46 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001698.22
LogP ≤ 523.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 2-(2-pyridyl)pyridine; ruthenium(3+); hexafluorophosphate
CID 6481875
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 1,10-phenanthroline; ruthenium(3+); hexafluorophosphate
CID 6481876
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 2-(2-pyridyl)pyridine; ruthenium(3+); dihexafluorophosphate
CID 6481878
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 1,10-phenanthroline; ruthenium(3+); dihexafluorophosphate
CID 6481879
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 2-(2-pyridyl)pyridine; ruthenium(2+); hexafluorophosphate
CID 6481880
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; pyrazine; 2-(2-pyridyl)pyridine; ruthenium(2+); ruthenium(3+); trihexafluorophosphate
CID 11980900
iron(2+);bis(2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline);diisothiocyanate
CID 139166165
13-(Trifluoromethyl)benzo[4,5]imidazo[1,2-a][1,10]phenanthroline
CID 139192824
1,4-Bis(imidazo[4,5-f]-1,10-phenanthrolin-2-yl)benzene
CID 15492639
2-(Benzimidazol-2-yl)-1,10-phenanthroline
CID 17755440
1,3-Bis(imidazo[4,5-f]-1,10-phenanthrolin-2-yl)benzene
CID 85780173
N-(2-pyridinylmethyl)-N'-(4-trifluoromethyl-1-H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine
CID 20763986

Frequently Asked Questions

What is the IUPAC name of bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);bis(1,10-phenanthroline);pyrazine;ruthenium(2+);ruthenium(3+);trihexafluorophosphate?
The IUPAC name of bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);bis(1,10-phenanthroline);pyrazine;ruthenium(2+);ruthenium(3+);trihexafluorophosphate (CID 11980901) is bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);bis(1,10-phenanthroline);pyrazine;ruthenium(2+);ruthenium(3+);trihexafluorophosphate.
What is the SMILES notation for bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);bis(1,10-phenanthroline);pyrazine;ruthenium(2+);ruthenium(3+);trihexafluorophosphate?
The canonical SMILES for bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);bis(1,10-phenanthroline);pyrazine;ruthenium(2+);ruthenium(3+);trihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+3].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1.c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnccn1.
What is the InChIKey of bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);bis(1,10-phenanthroline);pyrazine;ruthenium(2+);ruthenium(3+);trihexafluorophosphate?
The InChIKey is HSJCEKHJJLACQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H12N5.2C12H8N2.C4H4N2.3F6P.2Ru/c2*1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-4-3-5-1;3*1-7(2,3,4,5)6;;/h2*1-11H,(H-,21,22,23,24);2*1-8H;1-4H;;;;;/q2*-1;;;;3*-1;+2;+3.
What are the key properties of bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);bis(1,10-phenanthroline);pyrazine;ruthenium(2+);ruthenium(3+);trihexafluorophosphate?
bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);bis(1,10-phenanthroline);pyrazine;ruthenium(2+);ruthenium(3+);trihexafluorophosphate has a molecular weight of 1698.22 g/mol, XLogP of 23.78, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);bis(1,10-phenanthroline);pyrazine;ruthenium(2+);ruthenium(3+);trihexafluorophosphate is sourced from PubChem (CID 11980901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).