pentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine

C175H120F18Ir5N10-10 — CID 160908972

IUPACpentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine
SMILESCc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.FC(F)(F)c1cc(-c2cc[c-]c(-c3ccccn3)c2)c(C(F)(F)F)cc1-c1ccccc1.FC(F)(F)c1cc(-c2cc[c-]c(-c3ccccn3)c2)ccc1-c1ccccc1.FC(F)(F)c1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.FC(F)(F)c1ccc(-c2cccc(-c3cc[c-]c(-c4ccccn4)c3)c2)cc1.FC(F)(F)c1cccc(-c2cccc(-c3cc[c-]c(-c4ccccn4)c3)c2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C25H14F6N.3C24H15F3N.C18H11F3N.5C12H10N.5Ir/c26-24(27,28)21-15-20(17-9-6-10-18(13-17)23-11-4-5-12-32-23)22(25(29,30)31)14-19(21)16-7-2-1-3-8-16;25-24(26,27)22-11-5-9-20(16-22)18-7-3-6-17(14-18)19-8-4-10-21(15-19)23-12-1-2-13-28-23;25-24(26,27)22-12-10-17(11-13-22)18-5-3-6-19(15-18)20-7-4-8-21(16-20)23-9-1-2-14-28-23;25-24(26,27)22-16-19(12-13-21(22)17-7-2-1-3-8-17)18-9-6-10-20(15-18)23-11-4-5-14-28-23;19-18(20,21)16-9-7-13(8-10-16)14-4-3-5-15(12-14)17-6-1-2-11-22-17;5*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;;/h1-9,11-15H;1-9,11-16H;1-7,9-16H;1-9,11-16H;1-4,6-12H;5*2-7,9H,1H3;;;;;/q10*-1;;;;;
InChIKeyXHKPLYNQVUWDPK-UHFFFAOYSA-N
MW3666.00 g/mol
LogP48.13
Rot. Bonds19

About pentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine

pentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine (PubChem CID 160908972) has the molecular formula C175H120F18Ir5N10-10 and a molecular weight of 3666.00 g/mol. Its IUPAC name is pentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Namepentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine
PubChem CID160908972
Molecular FormulaC175H120F18Ir5N10-10
Molecular Weight3666.00 g/mol
Exact Mass3667.76
IUPAC Namepentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine
SMILESCc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.FC(F)(F)c1cc(-c2cc[c-]c(-c3ccccn3)c2)c(C(F)(F)F)cc1-c1ccccc1.FC(F)(F)c1cc(-c2cc[c-]c(-c3ccccn3)c2)ccc1-c1ccccc1.FC(F)(F)c1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.FC(F)(F)c1ccc(-c2cccc(-c3cc[c-]c(-c4ccccn4)c3)c2)cc1.FC(F)(F)c1cccc(-c2cccc(-c3cc[c-]c(-c4ccccn4)c3)c2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C25H14F6N.3C24H15F3N.C18H11F3N.5C12H10N.5Ir/c26-24(27,28)21-15-20(17-9-6-10-18(13-17)23-11-4-5-12-32-23)22(25(29,30)31)14-19(21)16-7-2-1-3-8-16;25-24(26,27)22-11-5-9-20(16-22)18-7-3-6-17(14-18)19-8-4-10-21(15-19)23-12-1-2-13-28-23;25-24(26,27)22-12-10-17(11-13-22)18-5-3-6-19(15-18)20-7-4-8-21(16-20)23-9-1-2-14-28-23;25-24(26,27)22-16-19(12-13-21(22)17-7-2-1-3-8-17)18-9-6-10-20(15-18)23-11-4-5-14-28-23;19-18(20,21)16-9-7-13(8-10-16)14-4-3-5-15(12-14)17-6-1-2-11-22-17;5*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;;/h1-9,11-15H;1-9,11-16H;1-7,9-16H;1-9,11-16H;1-4,6-12H;5*2-7,9H,1H3;;;;;/q10*-1;;;;;
InChIKeyXHKPLYNQVUWDPK-UHFFFAOYSA-N
XLogP48.13
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms208
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003666.00
LogP ≤ 548.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze pentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine with MolForge

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Related Compounds

4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
CID 60160592
Manganese(2+);tris(2-pyridin-2-ylpyridine);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139098886
Benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
CID 139132391
Tetrakis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);hexane;methanolate;bis(rhodium(3+));bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139141108
Gross107 (Sudhakar)
CID 139174614

Frequently Asked Questions

What is the IUPAC name of pentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine?
The IUPAC name of pentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine (CID 160908972) is pentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine.
What is the SMILES notation for pentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine?
The canonical SMILES for pentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine is Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.FC(F)(F)c1cc(-c2cc[c-]c(-c3ccccn3)c2)c(C(F)(F)F)cc1-c1ccccc1.FC(F)(F)c1cc(-c2cc[c-]c(-c3ccccn3)c2)ccc1-c1ccccc1.FC(F)(F)c1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.FC(F)(F)c1ccc(-c2cccc(-c3cc[c-]c(-c4ccccn4)c3)c2)cc1.FC(F)(F)c1cccc(-c2cccc(-c3cc[c-]c(-c4ccccn4)c3)c2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of pentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine?
The InChIKey is XHKPLYNQVUWDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F6N.3C24H15F3N.C18H11F3N.5C12H10N.5Ir/c26-24(27,28)21-15-20(17-9-6-10-18(13-17)23-11-4-5-12-32-23)22(25(29,30)31)14-19(21)16-7-2-1-3-8-16;25-24(26,27)22-11-5-9-20(16-22)18-7-3-6-17(14-18)19-8-4-10-21(15-19)23-12-1-2-13-28-23;25-24(26,27)22-12-10-17(11-13-22)18-5-3-6-19(15-18)20-7-4-8-21(16-20)23-9-1-2-14-28-23;25-24(26,27)22-16-19(12-13-21(22)17-7-2-1-3-8-17)18-9-6-10-20(15-18)23-11-4-5-14-28-23;19-18(20,21)16-9-7-13(8-10-16)14-4-3-5-15(12-14)17-6-1-2-11-22-17;5*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;;/h1-9,11-15H;1-9,11-16H;1-7,9-16H;1-9,11-16H;1-4,6-12H;5*2-7,9H,1H3;;;;;/q10*-1;;;;;.
What are the key properties of pentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine?
pentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine has a molecular weight of 3666.00 g/mol, XLogP of 48.13, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 160908972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).