4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine

C97H78Ir4N6-6 — CID 160687812

IUPAC4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine
SMILESCC(C)(C)c1ccnc(-c2[c-]cccc2)c1.Cc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1C.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C19H16N.C18H14N.2C17H12N.C15H16N.C11H8N.4Ir/c1-14-8-9-17(12-15(14)2)18-10-11-19(20-13-18)16-6-4-3-5-7-16;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;2*1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-15(2,3)13-9-10-16-14(11-13)12-7-5-4-6-8-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3-6,8-13H,1-2H3;2-8,10-13H,1H3;2*1-9,11-13H;4-7,9-11H,1-3H3;1-6,8-9H;;;;/q6*-1;;;;
InChIKeyQAYMZAXEPBXCCG-UHFFFAOYSA-N
MW2096.60 g/mol
LogP24.17
Rot. Bonds10

About 4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine

4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine (PubChem CID 160687812) has the molecular formula C97H78Ir4N6-6 and a molecular weight of 2096.60 g/mol. Its IUPAC name is 4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine.

Molecular Properties

Compound Name4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine
PubChem CID160687812
Molecular FormulaC97H78Ir4N6-6
Molecular Weight2096.60 g/mol
Exact Mass2098.48
IUPAC Name4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine
SMILESCC(C)(C)c1ccnc(-c2[c-]cccc2)c1.Cc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1C.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C19H16N.C18H14N.2C17H12N.C15H16N.C11H8N.4Ir/c1-14-8-9-17(12-15(14)2)18-10-11-19(20-13-18)16-6-4-3-5-7-16;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;2*1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-15(2,3)13-9-10-16-14(11-13)12-7-5-4-6-8-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3-6,8-13H,1-2H3;2-8,10-13H,1H3;2*1-9,11-13H;4-7,9-11H,1-3H3;1-6,8-9H;;;;/q6*-1;;;;
InChIKeyQAYMZAXEPBXCCG-UHFFFAOYSA-N
XLogP24.17
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002096.60
LogP ≤ 524.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113
bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);tris(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 160793818
iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine
CID 166502440
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2-phenylpyridine
CID 158941518
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 158255265
pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine)
CID 159371989
5-(4-fluoro-2-methylphenyl)-2-phenylpyridine;tris(iridium);4-(4-methylphenyl)-2-phenylpyridine;tris(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine
CID 158360388
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
4-[6-[5-(4-carboxyphenyl)-2-pyridinyl]-3-pyridinyl]benzoic acid;iridium;2-phenylpyridine
CID 170523980
4-(3,5-ditert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine;iridium;2-phenylpyridine
CID 169017950
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;pentakis(iridium);2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-methyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 158899422
bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 161189709

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine?
The IUPAC name of 4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine (CID 160687812) is 4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine.
What is the SMILES notation for 4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine?
The canonical SMILES for 4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine is CC(C)(C)c1ccnc(-c2[c-]cccc2)c1.Cc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1C.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine?
The InChIKey is QAYMZAXEPBXCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N.C18H14N.2C17H12N.C15H16N.C11H8N.4Ir/c1-14-8-9-17(12-15(14)2)18-10-11-19(20-13-18)16-6-4-3-5-7-16;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;2*1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-15(2,3)13-9-10-16-14(11-13)12-7-5-4-6-8-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3-6,8-13H,1-2H3;2-8,10-13H,1H3;2*1-9,11-13H;4-7,9-11H,1-3H3;1-6,8-9H;;;;/q6*-1;;;;.
What are the key properties of 4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine?
4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine has a molecular weight of 2096.60 g/mol, XLogP of 24.17, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine is sourced from PubChem (CID 160687812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).