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

C97H69F9Ir3N6-6 — CID 157310042

IUPACtris(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine
SMILESCc1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.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)c1cccc(-c2ccnc(-c3[c-]cccc3)c2)c1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H14F6N.C19H16N.C18H11F3N.2C12H10N.C11H8N.3Ir/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;1-14-9-11-16(12-10-14)17-6-4-7-18(13-17)19-8-3-5-15(2)20-19;19-18(20,21)16-8-4-7-14(11-16)15-9-10-22-17(12-15)13-5-2-1-3-6-13;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h1-9,11-15H;3-6,8-13H,1-2H3;1-5,7-12H;2*2-7,9H,1H3;1-6,8-9H;;;/q6*-1;;;
InChIKeyGVWNTYFOYLXIAH-UHFFFAOYSA-N
MW2066.29 g/mol
LogP26.24
Rot. Bonds10

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

tris(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 157310042) has the molecular formula C97H69F9Ir3N6-6 and a molecular weight of 2066.29 g/mol. Its IUPAC name is tris(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Nametris(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID157310042
Molecular FormulaC97H69F9Ir3N6-6
Molecular Weight2066.29 g/mol
Exact Mass2067.44
IUPAC Nametris(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine
SMILESCc1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.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)c1cccc(-c2ccnc(-c3[c-]cccc3)c2)c1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H14F6N.C19H16N.C18H11F3N.2C12H10N.C11H8N.3Ir/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;1-14-9-11-16(12-10-14)17-6-4-7-18(13-17)19-8-3-5-15(2)20-19;19-18(20,21)16-8-4-7-14(11-16)15-9-10-22-17(12-15)13-5-2-1-3-6-13;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h1-9,11-15H;3-6,8-13H,1-2H3;1-5,7-12H;2*2-7,9H,1H3;1-6,8-9H;;;/q6*-1;;;
InChIKeyGVWNTYFOYLXIAH-UHFFFAOYSA-N
XLogP26.24
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002066.29
LogP ≤ 526.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

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CID 59546880
3-[(2S)-1-methylpyrrolidin-2-yl]-1-[5-[2,4,5-tris[5-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44581014
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
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
[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

Frequently Asked Questions

What is the IUPAC name of tris(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of tris(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine (CID 157310042) is tris(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for tris(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for tris(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine is Cc1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.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)c1cccc(-c2ccnc(-c3[c-]cccc3)c2)c1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of tris(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is GVWNTYFOYLXIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F6N.C19H16N.C18H11F3N.2C12H10N.C11H8N.3Ir/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;1-14-9-11-16(12-10-14)17-6-4-7-18(13-17)19-8-3-5-15(2)20-19;19-18(20,21)16-8-4-7-14(11-16)15-9-10-22-17(12-15)13-5-2-1-3-6-13;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h1-9,11-15H;3-6,8-13H,1-2H3;1-5,7-12H;2*2-7,9H,1H3;1-6,8-9H;;;/q6*-1;;;.
What are the key properties of tris(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine?
tris(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 2066.29 g/mol, XLogP of 26.24, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-2,5-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 157310042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).