tris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine)

C138H96F12Ir4N12 — CID 159245479

IUPACtris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine)
SMILESCc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1F.Fc1c[c-]c(-c2ccccn2)cc1F.Fc1c[c-]c(-c2ccccn2)cc1F.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C12H7F3N.4C12H10N.3C11H6F2N.3C11H8N.4Ir/c2*13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;4*1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;3*12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2*1-4,6-8H;4*2-7,9H,1H3;3*1-3,5-7H;3*1-6,8-9H;;;;/q12*-1;4*+3
InChIKeyGBISXUYBAMTDJQ-UHFFFAOYSA-N
MW2919.21 g/mol
LogP34.68
Rot. Bonds12

About tris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine)

tris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine) (PubChem CID 159245479) has the molecular formula C138H96F12Ir4N12 and a molecular weight of 2919.21 g/mol. Its IUPAC name is tris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine).

Molecular Properties

Compound Nametris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine)
PubChem CID159245479
Molecular FormulaC138H96F12Ir4N12
Molecular Weight2919.21 g/mol
Exact Mass2920.62
IUPAC Nametris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine)
SMILESCc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1F.Fc1c[c-]c(-c2ccccn2)cc1F.Fc1c[c-]c(-c2ccccn2)cc1F.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C12H7F3N.4C12H10N.3C11H6F2N.3C11H8N.4Ir/c2*13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;4*1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;3*12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2*1-4,6-8H;4*2-7,9H,1H3;3*1-3,5-7H;3*1-6,8-9H;;;;/q12*-1;4*+3
InChIKeyGBISXUYBAMTDJQ-UHFFFAOYSA-N
XLogP34.68
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002919.21
LogP ≤ 534.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze tris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine) with MolForge

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Related Compounds

Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
Iridium;tris(2-phenylpyridine)
CID 23386734
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
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

Frequently Asked Questions

What is the IUPAC name of tris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine)?
The IUPAC name of tris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine) (CID 159245479) is tris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine).
What is the SMILES notation for tris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine)?
The canonical SMILES for tris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine) is Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1F.Fc1c[c-]c(-c2ccccn2)cc1F.Fc1c[c-]c(-c2ccccn2)cc1F.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of tris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine)?
The InChIKey is GBISXUYBAMTDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H7F3N.4C12H10N.3C11H6F2N.3C11H8N.4Ir/c2*13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;4*1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;3*12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2*1-4,6-8H;4*2-7,9H,1H3;3*1-3,5-7H;3*1-6,8-9H;;;;/q12*-1;4*+3.
What are the key properties of tris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine)?
tris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine) has a molecular weight of 2919.21 g/mol, XLogP of 34.68, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(3,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium(3+));tetrakis(2-(4-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine) is sourced from PubChem (CID 159245479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).