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

C101H83F3Ir4N6-6 — CID 157348044

IUPACtris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-phenylpyridine;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.Cc1cccnc1-c1[c-]cccc1.FC(F)(F)c1ccccc1-c1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/3C20H18N.C18H11F3N.C12H10N.C11H8N.4Ir/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;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3*4-10,12-13H,1-3H3;1-6,8-12H;2-7,9H,1H3;1-6,8-9H;;;;/q6*-1;;;;
InChIKeyAUDNKIAVUIZQSK-UHFFFAOYSA-N
MW2206.68 g/mol
LogP26.05
Rot. Bonds10

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

tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 157348044) has the molecular formula C101H83F3Ir4N6-6 and a molecular weight of 2206.68 g/mol. Its IUPAC name is tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-phenylpyridine;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);tetrakis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
PubChem CID157348044
Molecular FormulaC101H83F3Ir4N6-6
Molecular Weight2206.68 g/mol
Exact Mass2208.52
IUPAC Nametris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-phenylpyridine;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.Cc1cccnc1-c1[c-]cccc1.FC(F)(F)c1ccccc1-c1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/3C20H18N.C18H11F3N.C12H10N.C11H8N.4Ir/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;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3*4-10,12-13H,1-3H3;1-6,8-12H;2-7,9H,1H3;1-6,8-9H;;;;/q6*-1;;;;
InChIKeyAUDNKIAVUIZQSK-UHFFFAOYSA-N
XLogP26.05
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002206.68
LogP ≤ 526.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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);tetrakis(iridium);3-methyl-2-phenylpyridine;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);tetrakis(iridium);3-methyl-2-phenylpyridine;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);tetrakis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine (CID 157348044) is tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-phenylpyridine;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);tetrakis(iridium);3-methyl-2-phenylpyridine;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);tetrakis(iridium);3-methyl-2-phenylpyridine;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.Cc1cccnc1-c1[c-]cccc1.FC(F)(F)c1ccccc1-c1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is AUDNKIAVUIZQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H18N.C18H11F3N.C12H10N.C11H8N.4Ir/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;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3*4-10,12-13H,1-3H3;1-6,8-12H;2-7,9H,1H3;1-6,8-9H;;;;/q6*-1;;;;.
What are the key properties of tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?
tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 2206.68 g/mol, XLogP of 26.05, 10 rotatable bonds, 0 hydrogen bond donors, and 6 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);tetrakis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 157348044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).