tris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine

C140H136Ir4N8-8 — CID 160654520

IUPACtris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine
SMILESCC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CCCc1ccc(-c2[c-]cccc2)nc1.CCc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C21H20N.C15H16N.2C14H14N.C13H12N.4Ir/c3*1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;1-2-6-12-9-10-14(15-11-12)13-7-4-3-5-8-13;1-2-11-8-9-13(14-10-11)12-6-4-3-5-7-12;;;;/h4*4-10,12-15H,1-3H3;4-7,9-11H,1-3H3;3-6,8-11H,1-2H3;3-5,7,9-11H,2,6H2,1H3;3-6,8-10H,2H2,1H3;;;;/q8*-1;;;;
InChIKeyKUAARAFOOMUMMS-UHFFFAOYSA-N
MW2699.55 g/mol
LogP36.17
Rot. Bonds16

About tris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine

tris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine (PubChem CID 160654520) has the molecular formula C140H136Ir4N8-8 and a molecular weight of 2699.55 g/mol. Its IUPAC name is tris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine.

Molecular Properties

Compound Nametris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine
PubChem CID160654520
Molecular FormulaC140H136Ir4N8-8
Molecular Weight2699.55 g/mol
Exact Mass2700.94
IUPAC Nametris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine
SMILESCC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CCCc1ccc(-c2[c-]cccc2)nc1.CCc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C21H20N.C15H16N.2C14H14N.C13H12N.4Ir/c3*1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;1-2-6-12-9-10-14(15-11-12)13-7-4-3-5-8-13;1-2-11-8-9-13(14-10-11)12-6-4-3-5-7-12;;;;/h4*4-10,12-15H,1-3H3;4-7,9-11H,1-3H3;3-6,8-11H,1-2H3;3-5,7,9-11H,2,6H2,1H3;3-6,8-10H,2H2,1H3;;;;/q8*-1;;;;
InChIKeyKUAARAFOOMUMMS-UHFFFAOYSA-N
XLogP36.17
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002699.55
LogP ≤ 536.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine with MolForge

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Related Compounds

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;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;pentakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine)
CID 159954151
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3,5-di(propan-2-yl)phenyl]benzene-6-id-1-yl]pyridine;4-ethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine
CID 159442519
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
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
tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine
CID 159542369
2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine)
CID 160553096
4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-propan-2-yl-2-(4-propylbenzene-6-id-1-yl)pyridine
CID 161234418
5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;bis(iridium);bis(2-phenylpyridine)
CID 160519862
4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine
CID 159848075
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine
CID 160554173
2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium
CID 162708010

Frequently Asked Questions

What is the IUPAC name of tris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine?
The IUPAC name of tris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine (CID 160654520) is tris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine.
What is the SMILES notation for tris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine?
The canonical SMILES for tris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine is CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CCCc1ccc(-c2[c-]cccc2)nc1.CCc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of tris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine?
The InChIKey is KUAARAFOOMUMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C21H20N.C15H16N.2C14H14N.C13H12N.4Ir/c3*1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;1-2-6-12-9-10-14(15-11-12)13-7-4-3-5-8-13;1-2-11-8-9-13(14-10-11)12-6-4-3-5-7-12;;;;/h4*4-10,12-15H,1-3H3;4-7,9-11H,1-3H3;3-6,8-11H,1-2H3;3-5,7,9-11H,2,6H2,1H3;3-6,8-10H,2H2,1H3;;;;/q8*-1;;;;.
What are the key properties of tris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine?
tris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine has a molecular weight of 2699.55 g/mol, XLogP of 36.17, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);2-phenyl-5-propan-2-ylpyridine;2-phenyl-5-propylpyridine is sourced from PubChem (CID 160654520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).