bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol

C65H65F2Ir2N8O4-3 — CID 160983476

IUPACbis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol
SMILESCCO.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.CO.CO.CO.Fc1c[c-]c(-c2ccccn2)cc1.Fc1ccc(-c2ccccn2)cc1.[Ir].[Ir]
InChIInChI=1S/2C19H16N3.C11H8FN.C11H7FN.C2H6O.3CH4O.2Ir/c2*1-21-16-8-3-4-9-17(16)22(2)19-13-14(10-11-18(19)21)15-7-5-6-12-20-15;2*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-3;3*1-2;;/h2*3-9,11-13H,1-2H3;1-8H;1-4,6-8H;3H,2H2,1H3;3*2H,1H3;;/q2*-1;;-1;;;;;;
InChIKeyWLYDRORUQLNSCM-UHFFFAOYSA-N
MW1444.72 g/mol
LogP13.19
Rot. Bonds4

About bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol

bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol (PubChem CID 160983476) has the molecular formula C65H65F2Ir2N8O4-3 and a molecular weight of 1444.72 g/mol. Its IUPAC name is bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol.

Molecular Properties

Compound Namebis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol
PubChem CID160983476
Molecular FormulaC65H65F2Ir2N8O4-3
Molecular Weight1444.72 g/mol
Exact Mass1445.44
IUPAC Namebis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol
SMILESCCO.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.CO.CO.CO.Fc1c[c-]c(-c2ccccn2)cc1.Fc1ccc(-c2ccccn2)cc1.[Ir].[Ir]
InChIInChI=1S/2C19H16N3.C11H8FN.C11H7FN.C2H6O.3CH4O.2Ir/c2*1-21-16-8-3-4-9-17(16)22(2)19-13-14(10-11-18(19)21)15-7-5-6-12-20-15;2*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-3;3*1-2;;/h2*3-9,11-13H,1-2H3;1-8H;1-4,6-8H;3H,2H2,1H3;3*2H,1H3;;/q2*-1;;-1;;;;;;
InChIKeyWLYDRORUQLNSCM-UHFFFAOYSA-N
XLogP13.19
TPSA145.44 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001444.72
LogP ≤ 513.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane
CID 23531572
2-(4-fluorobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium;2-phenylpyridine
CID 168821649
2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
bis(2-(4-phenylbenzene-6-id-1-yl)pyridine);platinum(2+)
CID 58939535
bis(2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine);iridium(3+);2-pyridin-2-ylpyridine;hexafluorophosphate
CID 163409812
2-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056482
2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;quinoline-2-carboxylic acid
CID 91867153
bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
CID 176621893
bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate
CID 175720169
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium)
CID 159404145
iridium(3+);2-phenyl-6-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(6-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 153458434
(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-tripropylphosphanium;iridium
CID 59782104

Frequently Asked Questions

What is the IUPAC name of bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol?
The IUPAC name of bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol (CID 160983476) is bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol.
What is the SMILES notation for bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol?
The canonical SMILES for bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol is CCO.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.CO.CO.CO.Fc1c[c-]c(-c2ccccn2)cc1.Fc1ccc(-c2ccccn2)cc1.[Ir].[Ir].
What is the InChIKey of bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol?
The InChIKey is WLYDRORUQLNSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16N3.C11H8FN.C11H7FN.C2H6O.3CH4O.2Ir/c2*1-21-16-8-3-4-9-17(16)22(2)19-13-14(10-11-18(19)21)15-7-5-6-12-20-15;2*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-3;3*1-2;;/h2*3-9,11-13H,1-2H3;1-8H;1-4,6-8H;3H,2H2,1H3;3*2H,1H3;;/q2*-1;;-1;;;;;;.
What are the key properties of bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol?
bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol has a molecular weight of 1444.72 g/mol, XLogP of 13.19, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol is sourced from PubChem (CID 160983476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).