2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide

C89H50F12Ir4N24 — CID 157271142

IUPAC2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide
SMILESCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.FC(F)(F)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.FC(F)(F)c1ccnc(-c2cc(C(F)(F)F)cc(-c3cc(C(F)(F)F)ccn3)n2)c1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ir+3].[Ir+3].[Ir+3].[Ir+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C22H14F3N3.C22H17N3.C18H8F9N3.C15H11N3.12CN.4Ir/c23-22(24,25)17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-26-18)28-21(14-16)19-6-2-4-12-27-19;1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20;19-16(20,21)9-1-3-28-12(5-9)14-7-11(18(25,26)27)8-15(30-14)13-6-10(2-4-29-13)17(22,23)24;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;12*1-2;;;;/h1-14H;2-15H,1H3;1-8H;1-11H;;;;;;;;;;;;;;;;/q;;;;12*-1;4*+3
InChIKeyKJWZZKLGUWECCP-UHFFFAOYSA-N
MW2452.39 g/mol
LogP21.69
Rot. Bonds10

About 2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide

2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide (PubChem CID 157271142) has the molecular formula C89H50F12Ir4N24 and a molecular weight of 2452.39 g/mol. Its IUPAC name is 2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide.

Molecular Properties

Compound Name2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide
PubChem CID157271142
Molecular FormulaC89H50F12Ir4N24
Molecular Weight2452.39 g/mol
Exact Mass2454.30
IUPAC Name2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide
SMILESCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.FC(F)(F)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.FC(F)(F)c1ccnc(-c2cc(C(F)(F)F)cc(-c3cc(C(F)(F)F)ccn3)n2)c1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ir+3].[Ir+3].[Ir+3].[Ir+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C22H14F3N3.C22H17N3.C18H8F9N3.C15H11N3.12CN.4Ir/c23-22(24,25)17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-26-18)28-21(14-16)19-6-2-4-12-27-19;1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20;19-16(20,21)9-1-3-28-12(5-9)14-7-11(18(25,26)27)8-15(30-14)13-6-10(2-4-29-13)17(22,23)24;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;12*1-2;;;;/h1-14H;2-15H,1H3;1-8H;1-11H;;;;;;;;;;;;;;;;/q;;;;12*-1;4*+3
InChIKeyKJWZZKLGUWECCP-UHFFFAOYSA-N
XLogP21.69
TPSA440.16 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002452.39
LogP ≤ 521.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide with MolForge

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Related Compounds

2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58672250
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
chloroplatinum(1+);4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;chloride
CID 165430889
2-phenyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine
CID 135069582
2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 22359756
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
CID 66821845
2-[2,5-diphenyl-4-(6-phenyl-2-pyridinyl)phenyl]-6-phenylpyridine;2-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[3-methyl-5-(trifluoromethyl)phenyl]-6-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-diphenylphenyl]pyridine
CID 91363564

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide?
The IUPAC name of 2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide (CID 157271142) is 2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide.
What is the SMILES notation for 2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide?
The canonical SMILES for 2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide is Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.FC(F)(F)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.FC(F)(F)c1ccnc(-c2cc(C(F)(F)F)cc(-c3cc(C(F)(F)F)ccn3)n2)c1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ir+3].[Ir+3].[Ir+3].[Ir+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide?
The InChIKey is KJWZZKLGUWECCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3.C22H17N3.C18H8F9N3.C15H11N3.12CN.4Ir/c23-22(24,25)17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-26-18)28-21(14-16)19-6-2-4-12-27-19;1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20;19-16(20,21)9-1-3-28-12(5-9)14-7-11(18(25,26)27)8-15(30-14)13-6-10(2-4-29-13)17(22,23)24;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;12*1-2;;;;/h1-14H;2-15H,1H3;1-8H;1-11H;;;;;;;;;;;;;;;;/q;;;;12*-1;4*+3.
What are the key properties of 2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide?
2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide has a molecular weight of 2452.39 g/mol, XLogP of 21.69, 10 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide is sourced from PubChem (CID 157271142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).