4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+))

C281H288Ir3N9O3 — CID 159828528

IUPAC4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+))
SMILES[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1cc(C)c2c(c1)oc1c(-c3cc(-c4ccc(C5([2H])C(C)(C)CC(C)(C)CC5(C)C)cc4C)c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1cc(C)c2c(c1)oc1c(-c3cc(-c4ccc(C5([2H])C(C)(C)CCCC5(C)C)cc4C)c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1cc(C)c2c(c1)oc1c(-c3cc(-c4ccc(C5([2H])CC(C)(C)CC(C)(C)C5)cc4C)c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])(c1ccnc(-c2[c-]cc(C)c(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)c2)c1)C(C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]cc(C)c(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)c2)c1)C(C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]cc(C)c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2)c1)C(C)(C)C.[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/2C41H36N.C39H44NO.2C37H40NO.C35H32N.3C17H20N.3Ir/c2*1-29-10-11-38(40-26-30(24-25-42-40)28-41(2,3)4)27-39(29)37-22-20-36(21-23-37)35-18-16-34(17-19-35)33-14-12-32(13-15-33)31-8-6-5-7-9-31;1-23-16-25(3)34-30-13-11-12-29(35(30)41-33(34)17-23)32-19-31(26(4)20-40-32)28-15-14-27(18-24(28)2)36-38(7,8)21-37(5,6)22-39(36,9)10;1-22-17-24(3)33-29-12-9-11-28(34(29)39-32(33)18-22)31-20-30(25(4)21-38-31)27-14-13-26(19-23(27)2)35-36(5,6)15-10-16-37(35,7)8;1-22-14-24(3)34-30-11-9-10-29(35(30)39-33(34)15-22)32-17-31(25(4)20-38-32)28-13-12-26(16-23(28)2)27-18-36(5,6)21-37(7,8)19-27;1-25-10-11-32(34-22-26(20-21-36-34)24-35(2,3)4)23-33(25)31-18-16-30(17-19-31)29-14-12-28(13-15-29)27-8-6-5-7-9-27;3*1-13-5-8-15(9-6-13)16-10-7-14(12-18-16)11-17(2,3)4;;;/h2*5-10,12-27H,28H2,1-4H3;11,13-20,36H,21-22H2,1-10H3;9,12-14,17-21,35H,10,15-16H2,1-8H3;9,11-17,20,27H,18-19,21H2,1-8H3;5-10,12-23H,24H2,1-4H3;3*5-8,10,12H,11H2,1-4H3;;;/q9*-1;3*+3/i2*28D2;1D3,4D3,36D;1D3,4D3,35D;1D3,4D3,27D;24D2;3*1D3,11D2;;;
InChIKeyXETGIRWYURMPHJ-NYNCGMJISA-N
MW4458.36 g/mol
LogP77.65
Rot. Bonds41

About 4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+))

4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+)) (PubChem CID 159828528) has the molecular formula C281H288Ir3N9O3 and a molecular weight of 4458.36 g/mol. Its IUPAC name is 4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+)).

Molecular Properties

Compound Name4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+))
PubChem CID159828528
Molecular FormulaC281H288Ir3N9O3
Molecular Weight4458.36 g/mol
Exact Mass4457.42
IUPAC Name4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+))
SMILES[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1cc(C)c2c(c1)oc1c(-c3cc(-c4ccc(C5([2H])C(C)(C)CC(C)(C)CC5(C)C)cc4C)c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1cc(C)c2c(c1)oc1c(-c3cc(-c4ccc(C5([2H])C(C)(C)CCCC5(C)C)cc4C)c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1cc(C)c2c(c1)oc1c(-c3cc(-c4ccc(C5([2H])CC(C)(C)CC(C)(C)C5)cc4C)c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])(c1ccnc(-c2[c-]cc(C)c(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)c2)c1)C(C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]cc(C)c(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)c2)c1)C(C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]cc(C)c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2)c1)C(C)(C)C.[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/2C41H36N.C39H44NO.2C37H40NO.C35H32N.3C17H20N.3Ir/c2*1-29-10-11-38(40-26-30(24-25-42-40)28-41(2,3)4)27-39(29)37-22-20-36(21-23-37)35-18-16-34(17-19-35)33-14-12-32(13-15-33)31-8-6-5-7-9-31;1-23-16-25(3)34-30-13-11-12-29(35(30)41-33(34)17-23)32-19-31(26(4)20-40-32)28-15-14-27(18-24(28)2)36-38(7,8)21-37(5,6)22-39(36,9)10;1-22-17-24(3)33-29-12-9-11-28(34(29)39-32(33)18-22)31-20-30(25(4)21-38-31)27-14-13-26(19-23(27)2)35-36(5,6)15-10-16-37(35,7)8;1-22-14-24(3)34-30-11-9-10-29(35(30)39-33(34)15-22)32-17-31(25(4)20-38-32)28-13-12-26(16-23(28)2)27-18-36(5,6)21-37(7,8)19-27;1-25-10-11-32(34-22-26(20-21-36-34)24-35(2,3)4)23-33(25)31-18-16-30(17-19-31)29-14-12-28(13-15-29)27-8-6-5-7-9-27;3*1-13-5-8-15(9-6-13)16-10-7-14(12-18-16)11-17(2,3)4;;;/h2*5-10,12-27H,28H2,1-4H3;11,13-20,36H,21-22H2,1-10H3;9,12-14,17-21,35H,10,15-16H2,1-8H3;9,11-17,20,27H,18-19,21H2,1-8H3;5-10,12-23H,24H2,1-4H3;3*5-8,10,12H,11H2,1-4H3;;;/q9*-1;3*+3/i2*28D2;1D3,4D3,36D;1D3,4D3,35D;1D3,4D3,27D;24D2;3*1D3,11D2;;;
InChIKeyXETGIRWYURMPHJ-NYNCGMJISA-N
XLogP77.65
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds41
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004458.36
LogP ≤ 577.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+)) with MolForge

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Related Compounds

4-[4-[1-deuterio-4,4-bis(2-methylpropyl)cyclohexyl]-2-methylphenyl]-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;tris(2-[3-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)phenyl]-4-methylbenzene-6-id-1-yl]-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+))
CID 161119423
4-[4-[1-deuterio-4,4-bis(2-methylpropyl)cyclohexyl]-2-methylphenyl]-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;tris(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+))
CID 158216515
4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;iridium
CID 162452850
tris(4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine
CID 159971951
4-[4-(1-deuteriocyclopentyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;iridium
CID 162452571
4-[4-(1-deuteriocyclopentyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-[8-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;iridium
CID 162452878
tris(4-[4-[cyclopentyl(dideuterio)methyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-[8-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine);bis(4-[4-(1-deuteriocyclopentyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-[8-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 160672691
4-[2,4-bis(trideuteriomethyl)phenyl]-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;tris(4-[4-(4-tert-butylphenyl)-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 159886943
4-[4-[4-(1-deuteriocyclopentyl)-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;iridium
CID 162452923
4-[2,4-bis(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-[4-(4-tert-butylphenyl)-2,5-bis(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;5-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-[4-methyl-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 157354313
5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-[8-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium
CID 162452786
tris(4-[4-[4-(1-deuteriocyclopentyl)-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 158027405

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+))?
The IUPAC name of 4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+)) (CID 159828528) is 4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+)).
What is the SMILES notation for 4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+))?
The canonical SMILES for 4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+)) is [2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1cc(C)c2c(c1)oc1c(-c3cc(-c4ccc(C5([2H])C(C)(C)CC(C)(C)CC5(C)C)cc4C)c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1cc(C)c2c(c1)oc1c(-c3cc(-c4ccc(C5([2H])C(C)(C)CCCC5(C)C)cc4C)c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1cc(C)c2c(c1)oc1c(-c3cc(-c4ccc(C5([2H])CC(C)(C)CC(C)(C)C5)cc4C)c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])(c1ccnc(-c2[c-]cc(C)c(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)c2)c1)C(C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]cc(C)c(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)c2)c1)C(C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]cc(C)c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2)c1)C(C)(C)C.[Ir+3].[Ir+3].[Ir+3].
What is the InChIKey of 4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+))?
The InChIKey is XETGIRWYURMPHJ-NYNCGMJISA-N. The full InChI is InChI=1S/2C41H36N.C39H44NO.2C37H40NO.C35H32N.3C17H20N.3Ir/c2*1-29-10-11-38(40-26-30(24-25-42-40)28-41(2,3)4)27-39(29)37-22-20-36(21-23-37)35-18-16-34(17-19-35)33-14-12-32(13-15-33)31-8-6-5-7-9-31;1-23-16-25(3)34-30-13-11-12-29(35(30)41-33(34)17-23)32-19-31(26(4)20-40-32)28-15-14-27(18-24(28)2)36-38(7,8)21-37(5,6)22-39(36,9)10;1-22-17-24(3)33-29-12-9-11-28(34(29)39-32(33)18-22)31-20-30(25(4)21-38-31)27-14-13-26(19-23(27)2)35-36(5,6)15-10-16-37(35,7)8;1-22-14-24(3)34-30-11-9-10-29(35(30)39-33(34)15-22)32-17-31(25(4)20-38-32)28-13-12-26(16-23(28)2)27-18-36(5,6)21-37(7,8)19-27;1-25-10-11-32(34-22-26(20-21-36-34)24-35(2,3)4)23-33(25)31-18-16-30(17-19-31)29-14-12-28(13-15-29)27-8-6-5-7-9-27;3*1-13-5-8-15(9-6-13)16-10-7-14(12-18-16)11-17(2,3)4;;;/h2*5-10,12-27H,28H2,1-4H3;11,13-20,36H,21-22H2,1-10H3;9,12-14,17-21,35H,10,15-16H2,1-8H3;9,11-17,20,27H,18-19,21H2,1-8H3;5-10,12-23H,24H2,1-4H3;3*5-8,10,12H,11H2,1-4H3;;;/q9*-1;3*+3/i2*28D2;1D3,4D3,36D;1D3,4D3,35D;1D3,4D3,27D;24D2;3*1D3,11D2;;;.
What are the key properties of 4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+))?
4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+)) has a molecular weight of 4458.36 g/mol, XLogP of 77.65, 41 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-methylphenyl]-2-[9-methyl-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-methyl-3-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine);tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium(3+)) is sourced from PubChem (CID 159828528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).