2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C126H89F7Ir9N9-9 — CID 159367619

IUPAC2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCc1c[c-]c(-c2ccccn2)cc1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1ccc[c-]c1-c1ccccn1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2nccc3ccccc23)cc1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1cccc(-c2ccccc2)c1-c1ccccn1
InChIInChI=1S/3C17H12N.C16H9F3N.C12H7F3N.3C12H10N.C11H7FN.9Ir/c1-2-8-14(9-3-1)15-10-4-5-11-16(15)17-12-6-7-13-18-17;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;17-16(18,19)13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-20-15;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;;;;;;/h1-10,12-13H;1-9,11-13H;1-11,13H;1-5,7-10H;1-4,6-8H;2-5,7-9H,1H3;2-6,8-9H,1H3;2-7,9H,1H3;1-4,6-8H;;;;;;;;;/q9*-1;;;;;;;;;
InChIKeyDXHVTCIHVRRLSM-UHFFFAOYSA-N
MW3592.10 g/mol
LogP32.17
Rot. Bonds12

About 2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 159367619) has the molecular formula C126H89F7Ir9N9-9 and a molecular weight of 3592.10 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Name2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
PubChem CID159367619
Molecular FormulaC126H89F7Ir9N9-9
Molecular Weight3592.10 g/mol
Exact Mass3597.38
IUPAC Name2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCc1c[c-]c(-c2ccccn2)cc1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1ccc[c-]c1-c1ccccn1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2nccc3ccccc23)cc1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1cccc(-c2ccccc2)c1-c1ccccn1
InChIInChI=1S/3C17H12N.C16H9F3N.C12H7F3N.3C12H10N.C11H7FN.9Ir/c1-2-8-14(9-3-1)15-10-4-5-11-16(15)17-12-6-7-13-18-17;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;17-16(18,19)13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-20-15;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;;;;;;/h1-10,12-13H;1-9,11-13H;1-11,13H;1-5,7-10H;1-4,6-8H;2-5,7-9H,1H3;2-6,8-9H,1H3;2-7,9H,1H3;1-4,6-8H;;;;;;;;;/q9*-1;;;;;;;;;
InChIKeyDXHVTCIHVRRLSM-UHFFFAOYSA-N
XLogP32.17
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003592.10
LogP ≤ 532.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine with MolForge

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Related Compounds

Tris(2-(4-n-hexylphenyl)quinoline))iridium(III)
CID 101136485
N,N,N',N'-tetrakis(1-isoquinolylmethyl)ethylenediamine
CID 57713064
meso-Tetra (4-pyridyl) porphine-Ni(II)
CID 166593494
Tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride
CID 170996857
Tris(2-pyridin-2-ylpyridine);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 72192756
6,6',6'',6'''-([1,1':3',1'':3'',1'''-Quaterphenyl]-2,2',2'',2'''-tetrayl)tetrakis(3-fluoropyridine)
CID 155908938
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 166444863
5-[4-(Trifluoromethyl)phenyl]benzo[f]quinoline
CID 168328056
Iridium(3+) tris(2-(isoquinolin-1-yl)benzen-1-ide)
CID 53384374
1,3,6,8-Tetra(pyrid-2-yl)pyrene
CID 57567902
N,N,N',N'-tetrakis(isoquinolin-3-ylmethyl)ethane-1,2-diamine
CID 57713066
1,3,5-Tris(6-(3-(pyridin-3-yl)phenyl)pyridin-2-yl)benzene
CID 102128661

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 159367619) is 2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1ccc[c-]c1-c1ccccn1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2nccc3ccccc23)cc1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1cccc(-c2ccccc2)c1-c1ccccn1.
What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is DXHVTCIHVRRLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H12N.C16H9F3N.C12H7F3N.3C12H10N.C11H7FN.9Ir/c1-2-8-14(9-3-1)15-10-4-5-11-16(15)17-12-6-7-13-18-17;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;17-16(18,19)13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-20-15;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;;;;;;/h1-10,12-13H;1-9,11-13H;1-11,13H;1-5,7-10H;1-4,6-8H;2-5,7-9H,1H3;2-6,8-9H,1H3;2-7,9H,1H3;1-4,6-8H;;;;;;;;;/q9*-1;;;;;;;;;.
What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 3592.10 g/mol, XLogP of 32.17, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzene-6-id-1-yl)pyridine;nonakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 159367619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).