(4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone

C73H46F4Ir4N4O4-4 — CID 158776719

IUPAC(4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone
SMILESCc1ccc(C(=O)c2cc[c-]c(-c3ccccn3)c2)cc1.O=C(c1ccc(F)cc1)c1cc(-c2ccccn2)[c-]cc1F.O=C(c1ccc(F)cc1)c1cc[c-]c(-c2ccccn2)c1.O=C(c1ccccc1)c1cc(-c2ccccn2)[c-]cc1F.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C19H14NO.C18H10F2NO.2C18H11FNO.4Ir/c1-14-8-10-15(11-9-14)19(21)17-6-4-5-16(13-17)18-7-2-3-12-20-18;19-14-7-4-12(5-8-14)18(22)15-11-13(6-9-16(15)20)17-3-1-2-10-21-17;19-16-9-7-13(8-10-16)18(21)15-5-3-4-14(12-15)17-6-1-2-11-20-17;19-16-10-9-14(17-8-4-5-11-20-17)12-15(16)18(21)13-6-2-1-3-7-13;;;;/h2-4,6-13H,1H3;1-5,7-11H;1-3,5-12H;1-8,10-12H;;;;/q4*-1;;;;
InChIKeyHVKXEZFLCYTWQX-UHFFFAOYSA-N
MW1888.05 g/mol
LogP15.97
Rot. Bonds12

About (4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone

(4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone (PubChem CID 158776719) has the molecular formula C73H46F4Ir4N4O4-4 and a molecular weight of 1888.05 g/mol. Its IUPAC name is (4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone
PubChem CID158776719
Molecular FormulaC73H46F4Ir4N4O4-4
Molecular Weight1888.05 g/mol
Exact Mass1890.20
IUPAC Name(4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone
SMILESCc1ccc(C(=O)c2cc[c-]c(-c3ccccn3)c2)cc1.O=C(c1ccc(F)cc1)c1cc(-c2ccccn2)[c-]cc1F.O=C(c1ccc(F)cc1)c1cc[c-]c(-c2ccccn2)c1.O=C(c1ccccc1)c1cc(-c2ccccn2)[c-]cc1F.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C19H14NO.C18H10F2NO.2C18H11FNO.4Ir/c1-14-8-10-15(11-9-14)19(21)17-6-4-5-16(13-17)18-7-2-3-12-20-18;19-14-7-4-12(5-8-14)18(22)15-11-13(6-9-16(15)20)17-3-1-2-10-21-17;19-16-9-7-13(8-10-16)18(21)15-5-3-4-14(12-15)17-6-1-2-11-20-17;19-16-10-9-14(17-8-4-5-11-20-17)12-15(16)18(21)13-6-2-1-3-7-13;;;;/h2-4,6-13H,1H3;1-5,7-11H;1-3,5-12H;1-8,10-12H;;;;/q4*-1;;;;
InChIKeyHVKXEZFLCYTWQX-UHFFFAOYSA-N
XLogP15.97
TPSA119.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001888.05
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone with MolForge

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Related Compounds

(2,2'-Dipyridyl-N,N')bis(1,1,1-trifluoro-4-phenylbutane-2,4-dionato-O,O')manganese(II)
CID 139056918
bis(2,2'-Bipyridyl)-tris(mu2-1,3-bis(4,4,4-Trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl)-di-europium(iii) dichloromethane solvate
CID 139139443
bis(2,2'-Bipyridyl)-tris(mu2-1,3-bis(4,4,4-Trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl)-di-Samarium(iii) dichloromethane solvate
CID 139139445
bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine);hexakis((1Z)-2,2,2-trifluoro-1-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]ethanolate)
CID 139139940
dysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
CID 139144016
erbium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
CID 139200635
1,4-dioxane;bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine);hexakis((Z)-1,1,1-trifluoro-4-(4-methylphenyl)-4-oxobut-2-en-2-olate)
CID 168339179
dysprosium(3+);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;tris((Z)-1,1,1-trifluoro-4-naphthalen-2-yl-4-oxobut-2-en-2-olate)
CID 168343811
5,5-bis(2-ethylhexyl)-3,7-bis(1-methyl-2-phenylindolizin-3-yl)dibenzo[b,e]silin-10(5H)-one
CID 166037047
4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-5-(trifluoromethyl)pyridine;pentakis(iridium);1-[4-methyl-6-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3-pyridinyl]ethanone;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;N,N,5-trimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine
CID 157122318
1-(3,5-Difluorobenzene-6-id-1-yl)isoquinoline;1-(4-fluoro-3-methylbenzene-6-id-1-yl)isoquinoline;tetrakis(iridium);3-(3-methylbenzene-6-id-1-yl)isoquinoline;tris(pentane-2,4-dione);2,2,6,6-tetramethylheptane-3,5-dione;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline
CID 157370316
1-[1-[3-(4-Benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 157414943

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone (CID 158776719) is (4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone is Cc1ccc(C(=O)c2cc[c-]c(-c3ccccn3)c2)cc1.O=C(c1ccc(F)cc1)c1cc(-c2ccccn2)[c-]cc1F.O=C(c1ccc(F)cc1)c1cc[c-]c(-c2ccccn2)c1.O=C(c1ccccc1)c1cc(-c2ccccn2)[c-]cc1F.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of (4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone?
The InChIKey is HVKXEZFLCYTWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14NO.C18H10F2NO.2C18H11FNO.4Ir/c1-14-8-10-15(11-9-14)19(21)17-6-4-5-16(13-17)18-7-2-3-12-20-18;19-14-7-4-12(5-8-14)18(22)15-11-13(6-9-16(15)20)17-3-1-2-10-21-17;19-16-9-7-13(8-10-16)18(21)15-5-3-4-14(12-15)17-6-1-2-11-20-17;19-16-10-9-14(17-8-4-5-11-20-17)12-15(16)18(21)13-6-2-1-3-7-13;;;;/h2-4,6-13H,1H3;1-5,7-11H;1-3,5-12H;1-8,10-12H;;;;/q4*-1;;;;.
What are the key properties of (4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone?
(4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone has a molecular weight of 1888.05 g/mol, XLogP of 15.97, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)methanone;(4-fluorophenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone;(2-fluoro-5-pyridin-2-ylbenzene-4-id-1-yl)-phenylmethanone;tetrakis(iridium);(4-methylphenyl)-(3-pyridin-2-ylbenzene-4-id-1-yl)methanone is sourced from PubChem (CID 158776719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).