5-(4-cyclohexylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenyl-5-propan-2-ylpyridine;2-phenylpyridine

C124H102Ir4N8-8 — CID 158582594

IUPAC5-(4-cyclohexylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenyl-5-propan-2-ylpyridine;2-phenylpyridine
SMILESCC(C)c1ccc(-c2[c-]cccc2)nc1.CCc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccc(C3CCCCC3)cc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C23H22N.3C17H12N.C14H14N.C13H12N.C12H10N.C11H8N.4Ir/c1-3-7-18(8-4-1)19-11-13-20(14-12-19)22-15-16-23(24-17-22)21-9-5-2-6-10-21;3*1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;1-2-11-8-9-13(14-10-11)12-6-4-3-5-7-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2,5-6,9,11-18H,1,3-4,7-8H2;3*1-9,11-13H;3-6,8-11H,1-2H3;3-6,8-10H,2H2,1H3;2-5,7-9H,1H3;1-6,8-9H;;;;/q8*-1;;;;
InChIKeySOBMDDSHJUPEOI-UHFFFAOYSA-N
MW2473.10 g/mol
LogP31.09
Rot. Bonds15

About 5-(4-cyclohexylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenyl-5-propan-2-ylpyridine;2-phenylpyridine

5-(4-cyclohexylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenyl-5-propan-2-ylpyridine;2-phenylpyridine (PubChem CID 158582594) has the molecular formula C124H102Ir4N8-8 and a molecular weight of 2473.10 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenyl-5-propan-2-ylpyridine;2-phenylpyridine.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenyl-5-propan-2-ylpyridine;2-phenylpyridine
PubChem CID158582594
Molecular FormulaC124H102Ir4N8-8
Molecular Weight2473.10 g/mol
Exact Mass2474.68
IUPAC Name5-(4-cyclohexylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenyl-5-propan-2-ylpyridine;2-phenylpyridine
SMILESCC(C)c1ccc(-c2[c-]cccc2)nc1.CCc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccc(C3CCCCC3)cc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C23H22N.3C17H12N.C14H14N.C13H12N.C12H10N.C11H8N.4Ir/c1-3-7-18(8-4-1)19-11-13-20(14-12-19)22-15-16-23(24-17-22)21-9-5-2-6-10-21;3*1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;1-2-11-8-9-13(14-10-11)12-6-4-3-5-7-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2,5-6,9,11-18H,1,3-4,7-8H2;3*1-9,11-13H;3-6,8-11H,1-2H3;3-6,8-10H,2H2,1H3;2-5,7-9H,1H3;1-6,8-9H;;;;/q8*-1;;;;
InChIKeySOBMDDSHJUPEOI-UHFFFAOYSA-N
XLogP31.09
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002473.10
LogP ≤ 531.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyl-2-phenylpyridine;4-(4-ethylphenyl)-2-phenylpyridine;decakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;hexakis(4-phenyl-2-phenylpyridine);2-phenyl-4-(4-propan-2-ylphenyl)pyridine;2-phenyl-4-propan-2-ylpyridine;2-phenyl-5-propan-2-ylpyridine;tetrakis(2-phenylpyridine)
CID 158178446
bis(5-ethyl-2-phenylpyridine);iridium;methanol
CID 165162090
tris(iridium);bis(2-(3-methylbenzene-6-id-1-yl)-5-phenylpyridine);bis(5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine
CID 158490047
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
iridium;5-methyl-2-phenylpyridine;2-[3-(1-phenylethyl)benzene-6-id-1-yl]pyridine
CID 162710156
4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-phenylpyridine;4-[4-(1-deuteriocyclohexyl)phenyl]-2-phenylpyridine;pentakis(iridium(3+));tris(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine)
CID 161113243
2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine)
CID 160553096
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
2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
CID 58261624
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine
CID 155608738
[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-4-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine
CID 155608944

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenyl-5-propan-2-ylpyridine;2-phenylpyridine?
The IUPAC name of 5-(4-cyclohexylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenyl-5-propan-2-ylpyridine;2-phenylpyridine (CID 158582594) is 5-(4-cyclohexylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenyl-5-propan-2-ylpyridine;2-phenylpyridine.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenyl-5-propan-2-ylpyridine;2-phenylpyridine?
The canonical SMILES for 5-(4-cyclohexylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenyl-5-propan-2-ylpyridine;2-phenylpyridine is CC(C)c1ccc(-c2[c-]cccc2)nc1.CCc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccc(C3CCCCC3)cc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 5-(4-cyclohexylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenyl-5-propan-2-ylpyridine;2-phenylpyridine?
The InChIKey is SOBMDDSHJUPEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N.3C17H12N.C14H14N.C13H12N.C12H10N.C11H8N.4Ir/c1-3-7-18(8-4-1)19-11-13-20(14-12-19)22-15-16-23(24-17-22)21-9-5-2-6-10-21;3*1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;1-2-11-8-9-13(14-10-11)12-6-4-3-5-7-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2,5-6,9,11-18H,1,3-4,7-8H2;3*1-9,11-13H;3-6,8-11H,1-2H3;3-6,8-10H,2H2,1H3;2-5,7-9H,1H3;1-6,8-9H;;;;/q8*-1;;;;.
What are the key properties of 5-(4-cyclohexylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenyl-5-propan-2-ylpyridine;2-phenylpyridine?
5-(4-cyclohexylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenyl-5-propan-2-ylpyridine;2-phenylpyridine has a molecular weight of 2473.10 g/mol, XLogP of 31.09, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-2-phenylpyridine;5-ethyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenyl-5-propan-2-ylpyridine;2-phenylpyridine is sourced from PubChem (CID 158582594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).