4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine)

C209H228Ir4N8O4-8 — CID 158209537

IUPAC4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine)
SMILES[2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3c(C([2H])(C)C)cc(C([2H])(C)C)cc3C([2H])(C)C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3c(C([2H])(C)C)cc(C([2H])(C)C)cc3C([2H])(C)C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3c(C([2H])(C)C)cc(C([2H])(C)C)cc3C([2H])(C)C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3c(C([2H])(C)C)cc(C([2H])(C)C)cc3C([2H])(C)C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C1([2H])CCC(C)(C)CC1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C1([2H])CCCCC1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C1C(C)(C)CCCC1(C)C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C28H30NO.4C28H34N.C26H26NO.C24H22NO.C19H14NO.4Ir/c1-18-17-29-23(16-22(18)26-27(2,3)14-9-15-28(26,4)5)21-12-8-11-20-19-10-6-7-13-24(19)30-25(20)21;4*1-17(2)23-13-24(18(3)4)28(25(14-23)19(5)6)26-15-27(29-16-21(26)8)22-11-9-20(7)10-12-22;1-17-16-27-23(15-22(17)18-11-13-26(2,3)14-12-18)21-9-6-8-20-19-7-4-5-10-24(19)28-25(20)21;1-16-15-25-22(14-21(16)17-8-3-2-4-9-17)20-12-7-11-19-18-10-5-6-13-23(18)26-24(19)20;1-12-10-17(20-11-13(12)2)16-8-5-7-15-14-6-3-4-9-18(14)21-19(15)16;;;;/h6-8,10-11,13,16-17,26H,9,14-15H2,1-5H3;4*9-11,13-19H,1-8H3;4-8,10,15-16,18H,11-14H2,1-3H3;5-7,10-11,13-15,17H,2-4,8-9H2,1H3;3-7,9-11H,1-2H3;;;;/q8*-1;;;;/i1D3;4*7D3,8D3,17D,18D,19D;1D3,18D;1D3,17D;1D3,2D3;;;;
InChIKeyWSHJCJFMHQJBSI-SWBNKROPSA-N
MW3738.37 g/mol
LogP60.19
Rot. Bonds40

About 4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine)

4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine) (PubChem CID 158209537) has the molecular formula C209H228Ir4N8O4-8 and a molecular weight of 3738.37 g/mol. Its IUPAC name is 4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine).

Molecular Properties

Compound Name4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine)
PubChem CID158209537
Molecular FormulaC209H228Ir4N8O4-8
Molecular Weight3738.37 g/mol
Exact Mass3738.98
IUPAC Name4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine)
SMILES[2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3c(C([2H])(C)C)cc(C([2H])(C)C)cc3C([2H])(C)C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3c(C([2H])(C)C)cc(C([2H])(C)C)cc3C([2H])(C)C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3c(C([2H])(C)C)cc(C([2H])(C)C)cc3C([2H])(C)C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3c(C([2H])(C)C)cc(C([2H])(C)C)cc3C([2H])(C)C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C1([2H])CCC(C)(C)CC1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C1([2H])CCCCC1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C1C(C)(C)CCCC1(C)C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C28H30NO.4C28H34N.C26H26NO.C24H22NO.C19H14NO.4Ir/c1-18-17-29-23(16-22(18)26-27(2,3)14-9-15-28(26,4)5)21-12-8-11-20-19-10-6-7-13-24(19)30-25(20)21;4*1-17(2)23-13-24(18(3)4)28(25(14-23)19(5)6)26-15-27(29-16-21(26)8)22-11-9-20(7)10-12-22;1-17-16-27-23(15-22(17)18-11-13-26(2,3)14-12-18)21-9-6-8-20-19-7-4-5-10-24(19)28-25(20)21;1-16-15-25-22(14-21(16)17-8-3-2-4-9-17)20-12-7-11-19-18-10-5-6-13-23(18)26-24(19)20;1-12-10-17(20-11-13(12)2)16-8-5-7-15-14-6-3-4-9-18(14)21-19(15)16;;;;/h6-8,10-11,13,16-17,26H,9,14-15H2,1-5H3;4*9-11,13-19H,1-8H3;4-8,10,15-16,18H,11-14H2,1-3H3;5-7,10-11,13-15,17H,2-4,8-9H2,1H3;3-7,9-11H,1-2H3;;;;/q8*-1;;;;/i1D3;4*7D3,8D3,17D,18D,19D;1D3,18D;1D3,17D;1D3,2D3;;;;
InChIKeyWSHJCJFMHQJBSI-SWBNKROPSA-N
XLogP60.19
TPSA155.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds40
Heavy Atoms225
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003738.37
LogP ≤ 560.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine)?
The IUPAC name of 4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine) (CID 158209537) is 4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine).
What is the SMILES notation for 4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine)?
The canonical SMILES for 4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine) is [2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3c(C([2H])(C)C)cc(C([2H])(C)C)cc3C([2H])(C)C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3c(C([2H])(C)C)cc(C([2H])(C)C)cc3C([2H])(C)C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3c(C([2H])(C)C)cc(C([2H])(C)C)cc3C([2H])(C)C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3c(C([2H])(C)C)cc(C([2H])(C)C)cc3C([2H])(C)C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C1([2H])CCC(C)(C)CC1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C1([2H])CCCCC1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C1C(C)(C)CCCC1(C)C.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine)?
The InChIKey is WSHJCJFMHQJBSI-SWBNKROPSA-N. The full InChI is InChI=1S/C28H30NO.4C28H34N.C26H26NO.C24H22NO.C19H14NO.4Ir/c1-18-17-29-23(16-22(18)26-27(2,3)14-9-15-28(26,4)5)21-12-8-11-20-19-10-6-7-13-24(19)30-25(20)21;4*1-17(2)23-13-24(18(3)4)28(25(14-23)19(5)6)26-15-27(29-16-21(26)8)22-11-9-20(7)10-12-22;1-17-16-27-23(15-22(17)18-11-13-26(2,3)14-12-18)21-9-6-8-20-19-7-4-5-10-24(19)28-25(20)21;1-16-15-25-22(14-21(16)17-8-3-2-4-9-17)20-12-7-11-19-18-10-5-6-13-23(18)26-24(19)20;1-12-10-17(20-11-13(12)2)16-8-5-7-15-14-6-3-4-9-18(14)21-19(15)16;;;;/h6-8,10-11,13,16-17,26H,9,14-15H2,1-5H3;4*9-11,13-19H,1-8H3;4-8,10,15-16,18H,11-14H2,1-3H3;5-7,10-11,13-15,17H,2-4,8-9H2,1H3;3-7,9-11H,1-2H3;;;;/q8*-1;;;;/i1D3;4*7D3,8D3,17D,18D,19D;1D3,18D;1D3,17D;1D3,2D3;;;;.
What are the key properties of 4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine)?
4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine) has a molecular weight of 3738.37 g/mol, XLogP of 60.19, 40 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine) is sourced from PubChem (CID 158209537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).