8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+)

C13H8N4Ru+2 — CID 158548890

IUPAC8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+)
SMILES[Ru+2].c1cnc2c(c1)c1ncnc1c1ccc[nH]c12
InChIInChI=1S/C13H8N4.Ru/c1-3-8-10(14-5-1)11-9(4-2-6-15-11)13-12(8)16-7-17-13;/h1-7,14H;/q;+2
InChIKeyGYJPSJDCFUVMBQ-UHFFFAOYSA-N
MW321.31 g/mol
LogP2.66
Rot. Bonds

About 8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+)

8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+) (PubChem CID 158548890) has the molecular formula C13H8N4Ru+2 and a molecular weight of 321.31 g/mol. Its IUPAC name is 8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+).

Molecular Properties

Compound Name8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+)
PubChem CID158548890
Molecular FormulaC13H8N4Ru+2
Molecular Weight321.31 g/mol
Exact Mass321.98
IUPAC Name8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+)
SMILES[Ru+2].c1cnc2c(c1)c1ncnc1c1ccc[nH]c12
InChIInChI=1S/C13H8N4.Ru/c1-3-8-10(14-5-1)11-9(4-2-6-15-11)13-12(8)16-7-17-13;/h1-7,14H;/q;+2
InChIKeyGYJPSJDCFUVMBQ-UHFFFAOYSA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline
CID 136675185
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,11,13,15,18,20,23-undecaen-10-one
CID 153364617
9-phenyl-4,9,21,23-tetrazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(24),2,5,7,10,12,14,16,18,20,22-undecaene
CID 157134370
[1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline
CID 56941578
2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 141245187
naphtho[2,3-f][1,10]phenanthroline
CID 15381524
2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
CID 175295426
3,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,9(17),10,13,15-heptaene-8,12-dione
CID 22646509
iridium(3+);bis(phenanthro[9,10-b]pyrazine)
CID 160728362
quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
CID 118008961

Frequently Asked Questions

What is the IUPAC name of 8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+)?
The IUPAC name of 8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+) (CID 158548890) is 8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+).
What is the SMILES notation for 8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+)?
The canonical SMILES for 8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+) is [Ru+2].c1cnc2c(c1)c1ncnc1c1ccc[nH]c12.
What is the InChIKey of 8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+)?
The InChIKey is GYJPSJDCFUVMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4.Ru/c1-3-8-10(14-5-1)11-9(4-2-6-15-11)13-12(8)16-7-17-13;/h1-7,14H;/q;+2.
What are the key properties of 8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+)?
8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+) has a molecular weight of 321.31 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+) is sourced from PubChem (CID 158548890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).