iridium(3+);1,10-phenanthroline

C12H8IrN2+3 — CID 175702049

IUPACiridium(3+);1,10-phenanthroline
SMILES[Ir+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.Ir/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;/q;+3
InChIKeyPFDNAHYUPNJHLV-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.78
Rot. Bonds

About iridium(3+);1,10-phenanthroline

iridium(3+);1,10-phenanthroline (PubChem CID 175702049) has the molecular formula C12H8IrN2+3 and a molecular weight of 372.43 g/mol. Its IUPAC name is iridium(3+);1,10-phenanthroline.

Molecular Properties

Compound Nameiridium(3+);1,10-phenanthroline
PubChem CID175702049
Molecular FormulaC12H8IrN2+3
Molecular Weight372.43 g/mol
Exact Mass373.03
IUPAC Nameiridium(3+);1,10-phenanthroline
SMILES[Ir+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.Ir/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;/q;+3
InChIKeyPFDNAHYUPNJHLV-UHFFFAOYSA-N
XLogP2.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
CID 139076364
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127
sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate
CID 139178820
dichlororuthenium;tris(1,10-phenanthroline);hexahydrate
CID 53393580
bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide
CID 139068271
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650

Frequently Asked Questions

What is the IUPAC name of iridium(3+);1,10-phenanthroline?
The IUPAC name of iridium(3+);1,10-phenanthroline (CID 175702049) is iridium(3+);1,10-phenanthroline.
What is the SMILES notation for iridium(3+);1,10-phenanthroline?
The canonical SMILES for iridium(3+);1,10-phenanthroline is [Ir+3].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of iridium(3+);1,10-phenanthroline?
The InChIKey is PFDNAHYUPNJHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.Ir/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;/q;+3.
What are the key properties of iridium(3+);1,10-phenanthroline?
iridium(3+);1,10-phenanthroline has a molecular weight of 372.43 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);1,10-phenanthroline is sourced from PubChem (CID 175702049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).