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

C60H45F3Ir2N4-4 — CID 160572230

IUPACbis(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine
SMILESCc1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.Cc1cccc(-c2[c-]cccc2)n1.FC(F)(F)c1cccc(-c2ccnc(-c3[c-]cccc3)c2)c1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C19H16N.C18H11F3N.C12H10N.C11H8N.2Ir/c1-14-9-11-16(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;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;;/h3-6,8-13H,1-2H3;1-5,7-12H;2-7,9H,1H3;1-6,8-9H;;/q4*-1;;
InChIKeyJMAOVEMQMLSFRT-UHFFFAOYSA-N
MW1263.48 g/mol
LogP15.47
Rot. Bonds6

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

bis(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 160572230) has the molecular formula C60H45F3Ir2N4-4 and a molecular weight of 1263.48 g/mol. Its IUPAC name is bis(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Namebis(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID160572230
Molecular FormulaC60H45F3Ir2N4-4
Molecular Weight1263.48 g/mol
Exact Mass1264.29
IUPAC Namebis(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine
SMILESCc1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.Cc1cccc(-c2[c-]cccc2)n1.FC(F)(F)c1cccc(-c2ccnc(-c3[c-]cccc3)c2)c1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C19H16N.C18H11F3N.C12H10N.C11H8N.2Ir/c1-14-9-11-16(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;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;;/h3-6,8-13H,1-2H3;1-5,7-12H;2-7,9H,1H3;1-6,8-9H;;/q4*-1;;
InChIKeyJMAOVEMQMLSFRT-UHFFFAOYSA-N
XLogP15.47
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001263.48
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
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
1-[4-[4-[[bis(2-pyridylmethyl)amino]methyl]phenyl]phenyl]-N,N-bis(2-pyridylmethyl)methanamine
CID 16073097
meso-Tetra (4-pyridyl) porphine-Ni(II)
CID 166593494
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
Bis(4,4'-di-tert-butyl-2,2'-bipyridine-kappa^2^N,N')silver(I) trifluoromethanesulfonate
CID 139072979
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

Frequently Asked Questions

What is the IUPAC name of bis(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of bis(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine (CID 160572230) is bis(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for bis(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for bis(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine is Cc1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.Cc1cccc(-c2[c-]cccc2)n1.FC(F)(F)c1cccc(-c2ccnc(-c3[c-]cccc3)c2)c1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of bis(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is JMAOVEMQMLSFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N.C18H11F3N.C12H10N.C11H8N.2Ir/c1-14-9-11-16(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;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;;/h3-6,8-13H,1-2H3;1-5,7-12H;2-7,9H,1H3;1-6,8-9H;;/q4*-1;;.
What are the key properties of bis(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine?
bis(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 1263.48 g/mol, XLogP of 15.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iridium);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 160572230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).