bis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate

C51H34F12N8O4P2Ru-2 — CID 25027680

IUPACbis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C1c2cccc(O)c2C(=O)c2c(O)cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc21.[Ru].c1cnc2c(c1)CCc1cccnc1-2.c1cnc2c(c1)CCc1cccnc1-2
InChIInChI=1S/C27H14N4O4.2C12H10N2.2F6P.Ru/c32-17-7-1-4-13-19(17)26(35)20-16(25(13)34)10-12(11-18(20)33)27-30-23-14-5-2-8-28-21(14)22-15(24(23)31-27)6-3-9-29-22;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-7(2,3,4,5)6;/h1-11,32-33H,(H,30,31);2*1-4,7-8H,5-6H2;;;/q;;;2*-1;
InChIKeyJKUVIJJUKKWDCH-UHFFFAOYSA-N
MW1213.88 g/mol
LogP15.76
Rot. Bonds1

About bis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate

bis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate (PubChem CID 25027680) has the molecular formula C51H34F12N8O4P2Ru-2 and a molecular weight of 1213.88 g/mol. Its IUPAC name is bis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate.

Molecular Properties

Compound Namebis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate
PubChem CID25027680
Molecular FormulaC51H34F12N8O4P2Ru-2
Molecular Weight1213.88 g/mol
Exact Mass1214.10
IUPAC Namebis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C1c2cccc(O)c2C(=O)c2c(O)cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc21.[Ru].c1cnc2c(c1)CCc1cccnc1-2.c1cnc2c(c1)CCc1cccnc1-2
InChIInChI=1S/C27H14N4O4.2C12H10N2.2F6P.Ru/c32-17-7-1-4-13-19(17)26(35)20-16(25(13)34)10-12(11-18(20)33)27-30-23-14-5-2-8-28-21(14)22-15(24(23)31-27)6-3-9-29-22;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-7(2,3,4,5)6;/h1-11,32-33H,(H,30,31);2*1-4,7-8H,5-6H2;;;/q;;;2*-1;
InChIKeyJKUVIJJUKKWDCH-UHFFFAOYSA-N
XLogP15.76
TPSA180.62 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001213.88
LogP ≤ 515.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate with MolForge

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Related Compounds

2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 102048569
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2,6-dimethoxyphenol
CID 136776464
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol
CID 135589912
2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 15376894
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
CID 46865048
bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate
CID 139203985
methyl 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoate
CID 102508548
methane;2-methyl-1H-indole-3-carbaldehyde;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;1,10-phenanthroline-5,6-dione
CID 159628380
2-(2-ethynylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 166691371
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzonitrile
CID 46865047
2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 141245187
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline
CID 175822709

Frequently Asked Questions

What is the IUPAC name of bis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate?
The IUPAC name of bis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate (CID 25027680) is bis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate.
What is the SMILES notation for bis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate?
The canonical SMILES for bis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C1c2cccc(O)c2C(=O)c2c(O)cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc21.[Ru].c1cnc2c(c1)CCc1cccnc1-2.c1cnc2c(c1)CCc1cccnc1-2.
What is the InChIKey of bis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate?
The InChIKey is JKUVIJJUKKWDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H14N4O4.2C12H10N2.2F6P.Ru/c32-17-7-1-4-13-19(17)26(35)20-16(25(13)34)10-12(11-18(20)33)27-30-23-14-5-2-8-28-21(14)22-15(24(23)31-27)6-3-9-29-22;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-7(2,3,4,5)6;/h1-11,32-33H,(H,30,31);2*1-4,7-8H,5-6H2;;;/q;;;2*-1;.
What are the key properties of bis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate?
bis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate has a molecular weight of 1213.88 g/mol, XLogP of 15.76, 1 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5,6-dihydro-1,10-phenanthroline);1,8-dihydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracene-9,10-dione;ruthenium;dihexafluorophosphate is sourced from PubChem (CID 25027680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).