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

C120H99F3Ir5N7-7 — CID 159143424

IUPACtris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);pentakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(3-methyl-2-phenylpyridine);2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
SMILESCc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Cc1cccnc1-c1[c-]cccc1.Cc1cccnc1-c1[c-]cccc1.FC(F)(F)c1ccccc1-c1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/3C20H18N.C18H11F3N.C18H14N.2C12H10N.5Ir/c3*1-14-9-15(2)11-18(10-14)20-12-16(3)19(13-21-20)17-7-5-4-6-8-17;19-18(20,21)16-9-5-4-8-15(16)14-10-11-22-17(12-14)13-6-2-1-3-7-13;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;2*1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;;;;;/h3*4-10,12-13H,1-3H3;1-6,8-12H;2-8,10-13H,1H3;2*2-7,9H,1H3;;;;;/q7*-1;;;;;
InChIKeyVSWXUGUIZDRIAM-UHFFFAOYSA-N
MW2657.24 g/mol
LogP30.88
Rot. Bonds12

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

tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);pentakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(3-methyl-2-phenylpyridine);2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 159143424) has the molecular formula C120H99F3Ir5N7-7 and a molecular weight of 2657.24 g/mol. Its IUPAC name is tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);pentakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(3-methyl-2-phenylpyridine);2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Nametris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);pentakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(3-methyl-2-phenylpyridine);2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
PubChem CID159143424
Molecular FormulaC120H99F3Ir5N7-7
Molecular Weight2657.24 g/mol
Exact Mass2659.61
IUPAC Nametris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);pentakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(3-methyl-2-phenylpyridine);2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
SMILESCc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Cc1cccnc1-c1[c-]cccc1.Cc1cccnc1-c1[c-]cccc1.FC(F)(F)c1ccccc1-c1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/3C20H18N.C18H11F3N.C18H14N.2C12H10N.5Ir/c3*1-14-9-15(2)11-18(10-14)20-12-16(3)19(13-21-20)17-7-5-4-6-8-17;19-18(20,21)16-9-5-4-8-15(16)14-10-11-22-17(12-14)13-6-2-1-3-7-13;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;2*1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;;;;;/h3*4-10,12-13H,1-3H3;1-6,8-12H;2-8,10-13H,1H3;2*2-7,9H,1H3;;;;;/q7*-1;;;;;
InChIKeyVSWXUGUIZDRIAM-UHFFFAOYSA-N
XLogP30.88
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002657.24
LogP ≤ 530.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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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
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
Zinc tetrabenzylpyridoporphyrin
CID 16131349
[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(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);pentakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(3-methyl-2-phenylpyridine);2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);pentakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(3-methyl-2-phenylpyridine);2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine (CID 159143424) is tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);pentakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(3-methyl-2-phenylpyridine);2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);pentakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(3-methyl-2-phenylpyridine);2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);pentakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(3-methyl-2-phenylpyridine);2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine is Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Cc1cccnc1-c1[c-]cccc1.Cc1cccnc1-c1[c-]cccc1.FC(F)(F)c1ccccc1-c1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);pentakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(3-methyl-2-phenylpyridine);2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is VSWXUGUIZDRIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H18N.C18H11F3N.C18H14N.2C12H10N.5Ir/c3*1-14-9-15(2)11-18(10-14)20-12-16(3)19(13-21-20)17-7-5-4-6-8-17;19-18(20,21)16-9-5-4-8-15(16)14-10-11-22-17(12-14)13-6-2-1-3-7-13;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;2*1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;;;;;/h3*4-10,12-13H,1-3H3;1-6,8-12H;2-8,10-13H,1H3;2*2-7,9H,1H3;;;;;/q7*-1;;;;;.
What are the key properties of tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);pentakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(3-methyl-2-phenylpyridine);2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?
tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);pentakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(3-methyl-2-phenylpyridine);2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 2657.24 g/mol, XLogP of 30.88, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);pentakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(3-methyl-2-phenylpyridine);2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 159143424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).