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)

C262H206Ir5N15 — CID 161113243

IUPAC4-[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)
SMILESCc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[2H]C1(c2ccc(-c3ccc(-c4ccnc(-c5[c-]cccc5)c4)cc3)cc2)CCCCC1.[2H]C1(c2ccc(-c3ccnc(-c4[c-]cccc4)c3)cc2)CCCCC1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C29H26N.C24H18N.C23H22N.C23H16N.6C18H14N.5C11H8N.5Ir/c1-3-7-22(8-4-1)23-11-13-24(14-12-23)25-15-17-26(18-16-25)28-19-20-30-29(21-28)27-9-5-2-6-10-27;1-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-5-4-6-23(17-22)24-7-2-3-16-25-24;1-3-7-18(8-4-1)19-11-13-20(14-12-19)22-15-16-24-23(17-22)21-9-5-2-6-10-21;1-2-7-18(8-3-1)19-12-14-20(15-13-19)21-9-6-10-22(17-21)23-11-4-5-16-24-23;3*1-14-8-10-15(11-9-14)16-5-4-6-17(13-16)18-7-2-3-12-19-18;3*1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2,5-6,9,11-22H,1,3-4,7-8H2;2-5,7-17H,1H3;2,5-6,9,11-18H,1,3-4,7-8H2;1-9,11-17H;6*2-5,7-13H,1H3;5*1-6,8-9H;;;;;/q15*-1;5*+3/i22D;;18D;;;;;;;;;;;;;;;;;
InChIKeyAZPLLLZOKVOFLC-NDXLSLJRSA-N
MW4527.73 g/mol
LogP66.14
Rot. Bonds30

About 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)

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) (PubChem CID 161113243) has the molecular formula C262H206Ir5N15 and a molecular weight of 4527.73 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name4-[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)
PubChem CID161113243
Molecular FormulaC262H206Ir5N15
Molecular Weight4527.73 g/mol
Exact Mass4528.49
IUPAC Name4-[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)
SMILESCc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[2H]C1(c2ccc(-c3ccc(-c4ccnc(-c5[c-]cccc5)c4)cc3)cc2)CCCCC1.[2H]C1(c2ccc(-c3ccnc(-c4[c-]cccc4)c3)cc2)CCCCC1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C29H26N.C24H18N.C23H22N.C23H16N.6C18H14N.5C11H8N.5Ir/c1-3-7-22(8-4-1)23-11-13-24(14-12-23)25-15-17-26(18-16-25)28-19-20-30-29(21-28)27-9-5-2-6-10-27;1-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-5-4-6-23(17-22)24-7-2-3-16-25-24;1-3-7-18(8-4-1)19-11-13-20(14-12-19)22-15-16-24-23(17-22)21-9-5-2-6-10-21;1-2-7-18(8-3-1)19-12-14-20(15-13-19)21-9-6-10-22(17-21)23-11-4-5-16-24-23;3*1-14-8-10-15(11-9-14)16-5-4-6-17(13-16)18-7-2-3-12-19-18;3*1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2,5-6,9,11-22H,1,3-4,7-8H2;2-5,7-17H,1H3;2,5-6,9,11-18H,1,3-4,7-8H2;1-9,11-17H;6*2-5,7-13H,1H3;5*1-6,8-9H;;;;;/q15*-1;5*+3/i22D;;18D;;;;;;;;;;;;;;;;;
InChIKeyAZPLLLZOKVOFLC-NDXLSLJRSA-N
XLogP66.14
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004527.73
LogP ≤ 566.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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) with MolForge

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Related Compounds

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-[4-(1-deuteriocyclohexyl)phenyl]-2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 169048526
1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;4-[4-(1-deuteriocyclopentyl)phenyl]-2-phenylpyridine;iridium
CID 166563942
tetrakis(iridium);2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 159132811
iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine
CID 166502440
4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine
CID 140825856
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
nonakis(2-(3-cyclohexylbenzene-6-id-1-yl)pyridine);4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-phenylpyridine;4-[4-(1-deuteriocyclohexyl)phenyl]-2-phenylpyridine;4-(1-deuteriocyclohexyl)-2-phenylpyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-phenylpyridine;4-(2-deuteriopropan-2-yl)-2-phenylpyridine;4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;nonakis(iridium(3+));4-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyridine;nonakis(2-phenylpyridine)
CID 160803039
iridium(3+);2-phenyl-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 162697648
iridium;2-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304
4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine;iridium;2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine
CID 166503401
2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine)
CID 160708455

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[2H]C1(c2ccc(-c3ccc(-c4ccnc(-c5[c-]cccc5)c4)cc3)cc2)CCCCC1.[2H]C1(c2ccc(-c3ccnc(-c4[c-]cccc4)c3)cc2)CCCCC1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 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)?
The InChIKey is AZPLLLZOKVOFLC-NDXLSLJRSA-N. The full InChI is InChI=1S/C29H26N.C24H18N.C23H22N.C23H16N.6C18H14N.5C11H8N.5Ir/c1-3-7-22(8-4-1)23-11-13-24(14-12-23)25-15-17-26(18-16-25)28-19-20-30-29(21-28)27-9-5-2-6-10-27;1-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-5-4-6-23(17-22)24-7-2-3-16-25-24;1-3-7-18(8-4-1)19-11-13-20(14-12-19)22-15-16-24-23(17-22)21-9-5-2-6-10-21;1-2-7-18(8-3-1)19-12-14-20(15-13-19)21-9-6-10-22(17-21)23-11-4-5-16-24-23;3*1-14-8-10-15(11-9-14)16-5-4-6-17(13-16)18-7-2-3-12-19-18;3*1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2,5-6,9,11-22H,1,3-4,7-8H2;2-5,7-17H,1H3;2,5-6,9,11-18H,1,3-4,7-8H2;1-9,11-17H;6*2-5,7-13H,1H3;5*1-6,8-9H;;;;;/q15*-1;5*+3/i22D;;18D;;;;;;;;;;;;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 4527.73 g/mol, XLogP of 66.14, 30 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 161113243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).