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+))

C273H312Ir3N9O3 — CID 161119423

IUPAC4-[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+))
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])c1cnc(-c2[c-]ccc3c2oc2c4ccccc4ccc32)cc1-c1ccc(C2([2H])C(C)(C)CC(C)(C)CC2(C)C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2c4ccccc4ccc32)cc1-c1ccc(C2([2H])C(C)(C)CCCC2(C)C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2c4ccccc4ccc32)cc1-c1ccc(C2([2H])CCC(CC(C)C)(CC(C)C)CC2)cc1C.[2H]C1(c2ccc(-c3cc(-c4cc(C([2H])([2H])C(C)(C)C)ccn4)[c-]cc3C)cc2)CC(C)(C)CC(C)(C)C1.[2H]C1(c2ccc(-c3cc(-c4cc(C([2H])([2H])C(C)(C)C)ccn4)[c-]cc3C)cc2)CC(C)(C)CC(C)(C)C1.[2H]C1(c2ccc(-c3cc(-c4cc(C([2H])([2H])C(C)(C)C)ccn4)[c-]cc3C)cc2)CC(C)(C)CC(C)(C)C1.[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/C43H46NO.C41H42NO.C39H38NO.3C33H42N.3C17H20N.3Ir/c1-27(2)24-43(25-28(3)4)20-18-31(19-21-43)33-15-16-34(29(5)22-33)39-23-40(44-26-30(39)6)38-13-9-12-36-37-17-14-32-10-7-8-11-35(32)41(37)45-42(36)38;1-25-20-28(38-40(5,6)23-39(3,4)24-41(38,7)8)17-18-29(25)34-21-35(42-22-26(34)2)33-15-11-14-31-32-19-16-27-12-9-10-13-30(27)36(32)43-37(31)33;1-24-21-27(37-38(3,4)19-10-20-39(37,5)6)16-17-28(24)33-22-34(40-23-25(33)2)32-14-9-13-30-31-18-15-26-11-7-8-12-29(26)35(31)41-36(30)32;3*1-23-9-10-27(30-17-24(15-16-34-30)19-31(2,3)4)18-29(23)26-13-11-25(12-14-26)28-20-32(5,6)22-33(7,8)21-28;3*1-13-5-8-15(9-6-13)16-10-7-14(12-18-16)11-17(2,3)4;;;/h7-12,14-17,22-23,26-28,31H,18-21,24-25H2,1-6H3;9-14,16-22,38H,23-24H2,1-8H3;7-9,11-13,15-18,21-23,37H,10,19-20H2,1-6H3;3*9,11-18,28H,19-22H2,1-8H3;3*5-8,10,12H,11H2,1-4H3;;;/q9*-1;3*+3/i6D3,31D;2D3,38D;2D3,37D;3*19D2,28D;3*1D3,11D2;;;
InChIKeyUGGYFSKPINFRGS-HACZFJSFSA-N
MW4380.43 g/mol
LogP77.30
Rot. Bonds37

About 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+))

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+)) (PubChem CID 161119423) has the molecular formula C273H312Ir3N9O3 and a molecular weight of 4380.43 g/mol. Its IUPAC name is 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+)).

Molecular Properties

Compound Name4-[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+))
PubChem CID161119423
Molecular FormulaC273H312Ir3N9O3
Molecular Weight4380.43 g/mol
Exact Mass4379.57
IUPAC Name4-[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+))
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])c1cnc(-c2[c-]ccc3c2oc2c4ccccc4ccc32)cc1-c1ccc(C2([2H])C(C)(C)CC(C)(C)CC2(C)C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2c4ccccc4ccc32)cc1-c1ccc(C2([2H])C(C)(C)CCCC2(C)C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2c4ccccc4ccc32)cc1-c1ccc(C2([2H])CCC(CC(C)C)(CC(C)C)CC2)cc1C.[2H]C1(c2ccc(-c3cc(-c4cc(C([2H])([2H])C(C)(C)C)ccn4)[c-]cc3C)cc2)CC(C)(C)CC(C)(C)C1.[2H]C1(c2ccc(-c3cc(-c4cc(C([2H])([2H])C(C)(C)C)ccn4)[c-]cc3C)cc2)CC(C)(C)CC(C)(C)C1.[2H]C1(c2ccc(-c3cc(-c4cc(C([2H])([2H])C(C)(C)C)ccn4)[c-]cc3C)cc2)CC(C)(C)CC(C)(C)C1.[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/C43H46NO.C41H42NO.C39H38NO.3C33H42N.3C17H20N.3Ir/c1-27(2)24-43(25-28(3)4)20-18-31(19-21-43)33-15-16-34(29(5)22-33)39-23-40(44-26-30(39)6)38-13-9-12-36-37-17-14-32-10-7-8-11-35(32)41(37)45-42(36)38;1-25-20-28(38-40(5,6)23-39(3,4)24-41(38,7)8)17-18-29(25)34-21-35(42-22-26(34)2)33-15-11-14-31-32-19-16-27-12-9-10-13-30(27)36(32)43-37(31)33;1-24-21-27(37-38(3,4)19-10-20-39(37,5)6)16-17-28(24)33-22-34(40-23-25(33)2)32-14-9-13-30-31-18-15-26-11-7-8-12-29(26)35(31)41-36(30)32;3*1-23-9-10-27(30-17-24(15-16-34-30)19-31(2,3)4)18-29(23)26-13-11-25(12-14-26)28-20-32(5,6)22-33(7,8)21-28;3*1-13-5-8-15(9-6-13)16-10-7-14(12-18-16)11-17(2,3)4;;;/h7-12,14-17,22-23,26-28,31H,18-21,24-25H2,1-6H3;9-14,16-22,38H,23-24H2,1-8H3;7-9,11-13,15-18,21-23,37H,10,19-20H2,1-6H3;3*9,11-18,28H,19-22H2,1-8H3;3*5-8,10,12H,11H2,1-4H3;;;/q9*-1;3*+3/i6D3,31D;2D3,38D;2D3,37D;3*19D2,28D;3*1D3,11D2;;;
InChIKeyUGGYFSKPINFRGS-HACZFJSFSA-N
XLogP77.30
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds37
Heavy Atoms288
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004380.43
LogP ≤ 577.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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+))?
The IUPAC name of 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) is 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+)).
What is the SMILES notation for 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+))?
The canonical SMILES for 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+)) 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])c1cnc(-c2[c-]ccc3c2oc2c4ccccc4ccc32)cc1-c1ccc(C2([2H])C(C)(C)CC(C)(C)CC2(C)C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2c4ccccc4ccc32)cc1-c1ccc(C2([2H])C(C)(C)CCCC2(C)C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2c4ccccc4ccc32)cc1-c1ccc(C2([2H])CCC(CC(C)C)(CC(C)C)CC2)cc1C.[2H]C1(c2ccc(-c3cc(-c4cc(C([2H])([2H])C(C)(C)C)ccn4)[c-]cc3C)cc2)CC(C)(C)CC(C)(C)C1.[2H]C1(c2ccc(-c3cc(-c4cc(C([2H])([2H])C(C)(C)C)ccn4)[c-]cc3C)cc2)CC(C)(C)CC(C)(C)C1.[2H]C1(c2ccc(-c3cc(-c4cc(C([2H])([2H])C(C)(C)C)ccn4)[c-]cc3C)cc2)CC(C)(C)CC(C)(C)C1.[Ir+3].[Ir+3].[Ir+3].
What is the InChIKey of 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+))?
The InChIKey is UGGYFSKPINFRGS-HACZFJSFSA-N. The full InChI is InChI=1S/C43H46NO.C41H42NO.C39H38NO.3C33H42N.3C17H20N.3Ir/c1-27(2)24-43(25-28(3)4)20-18-31(19-21-43)33-15-16-34(29(5)22-33)39-23-40(44-26-30(39)6)38-13-9-12-36-37-17-14-32-10-7-8-11-35(32)41(37)45-42(36)38;1-25-20-28(38-40(5,6)23-39(3,4)24-41(38,7)8)17-18-29(25)34-21-35(42-22-26(34)2)33-15-11-14-31-32-19-16-27-12-9-10-13-30(27)36(32)43-37(31)33;1-24-21-27(37-38(3,4)19-10-20-39(37,5)6)16-17-28(24)33-22-34(40-23-25(33)2)32-14-9-13-30-31-18-15-26-11-7-8-12-29(26)35(31)41-36(30)32;3*1-23-9-10-27(30-17-24(15-16-34-30)19-31(2,3)4)18-29(23)26-13-11-25(12-14-26)28-20-32(5,6)22-33(7,8)21-28;3*1-13-5-8-15(9-6-13)16-10-7-14(12-18-16)11-17(2,3)4;;;/h7-12,14-17,22-23,26-28,31H,18-21,24-25H2,1-6H3;9-14,16-22,38H,23-24H2,1-8H3;7-9,11-13,15-18,21-23,37H,10,19-20H2,1-6H3;3*9,11-18,28H,19-22H2,1-8H3;3*5-8,10,12H,11H2,1-4H3;;;/q9*-1;3*+3/i6D3,31D;2D3,38D;2D3,37D;3*19D2,28D;3*1D3,11D2;;;.
What are the key properties of 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+))?
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+)) has a molecular weight of 4380.43 g/mol, XLogP of 77.30, 37 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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+)) is sourced from PubChem (CID 161119423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).