2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine

C111H104F6Ir8N8-8 — CID 161127685

IUPAC2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1c[c-]c(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CCCCCCCCc1c[c-]c(-c2ccccn2)cc1.CCCCCCc1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1ccc(-c2[c-]cccc2)nc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C19H24N.C17H20N.2C15H16N.C12H7F3N.C11H6F2N.C11H7FN.C11H8N.8Ir/c1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)19-11-8-9-16-20-19;1-2-3-4-6-9-15-12-13-17(18-14-15)16-10-7-5-8-11-16;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;/h8-9,11-14,16H,2-7,10H2,1H3;5,7-8,10,12-14H,2-4,6,9H2,1H3;2*4-7,9-11H,1-3H3;1-4,6-8H;1-4,6-7H;1-4,6-8H;1-6,8-9H;;;;;;;;/q8*-1;;;;;;;;
InChIKeyUTUOIENIANZZNS-UHFFFAOYSA-N
MW3201.83 g/mol
LogP29.43
Rot. Bonds20

About 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine

2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine (PubChem CID 161127685) has the molecular formula C111H104F6Ir8N8-8 and a molecular weight of 3201.83 g/mol. Its IUPAC name is 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine
PubChem CID161127685
Molecular FormulaC111H104F6Ir8N8-8
Molecular Weight3201.83 g/mol
Exact Mass3206.54
IUPAC Name2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1c[c-]c(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CCCCCCCCc1c[c-]c(-c2ccccn2)cc1.CCCCCCc1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1ccc(-c2[c-]cccc2)nc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C19H24N.C17H20N.2C15H16N.C12H7F3N.C11H6F2N.C11H7FN.C11H8N.8Ir/c1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)19-11-8-9-16-20-19;1-2-3-4-6-9-15-12-13-17(18-14-15)16-10-7-5-8-11-16;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;/h8-9,11-14,16H,2-7,10H2,1H3;5,7-8,10,12-14H,2-4,6,9H2,1H3;2*4-7,9-11H,1-3H3;1-4,6-8H;1-4,6-7H;1-4,6-8H;1-6,8-9H;;;;;;;;/q8*-1;;;;;;;;
InChIKeyUTUOIENIANZZNS-UHFFFAOYSA-N
XLogP29.43
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003201.83
LogP ≤ 529.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

(4,4'-Di-tert-butyl-2,2'-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kappaN)phenyl-kappaC]iridium(III) Hexafluorophosphate
CID 53260182
(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
CID 59546880
(4,4'-Di-t-butyl-2,2'-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kN)phenyl-kC]iridium(III) hexafluorophosphate
CID 60147002
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
Ru(II)(bpy)2(Mebpy-cyclam-2H+)
CID 16683895
5,10,15,20-Tetra(4-pyridinyl)porphyrin-nickel (1:1)
CID 6522361

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine (CID 161127685) is 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine is CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CCCCCCCCc1c[c-]c(-c2ccccn2)cc1.CCCCCCc1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1ccc(-c2[c-]cccc2)nc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine?
The InChIKey is UTUOIENIANZZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N.C17H20N.2C15H16N.C12H7F3N.C11H6F2N.C11H7FN.C11H8N.8Ir/c1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)19-11-8-9-16-20-19;1-2-3-4-6-9-15-12-13-17(18-14-15)16-10-7-5-8-11-16;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;/h8-9,11-14,16H,2-7,10H2,1H3;5,7-8,10,12-14H,2-4,6,9H2,1H3;2*4-7,9-11H,1-3H3;1-4,6-8H;1-4,6-7H;1-4,6-8H;1-6,8-9H;;;;;;;;/q8*-1;;;;;;;;.
What are the key properties of 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine?
2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine has a molecular weight of 3201.83 g/mol, XLogP of 29.43, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;octakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 161127685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).