2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C166H145Ir5N15O5-10 — CID 159383918

IUPAC2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
SMILES[2H]C(C)(C)c1ccc2c(n1)oc1c(-c3cc(C([2H])(C)C([2H])([2H])[2H])ccn3)[c-]ccc12.[2H]C([2H])([2H])C([2H])(C)Cc1ccc2c(n1)oc1c(-c3cc(C([2H])(C)C([2H])([2H])[2H])ccn3)[c-]ccc12.[2H]C([2H])([2H])C([2H])(C)c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1.[2H]C([2H])([2H])C([2H])(C)c1ccnc(-c2[c-]ccc3c2oc2nc(CC)ccc23)c1.[2H]C1([2H])CCCC([2H])([2H])C1([2H])c1ccc2c(n1)oc1c(-c3cc(C(C)C)ccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H25N2O.C23H23N2O.C22H21N2O.C21H19N2O.C20H17N2O.5C11H8N.5Ir/c1-16(2)18-13-14-26-23(15-18)21-10-6-9-19-20-11-12-22(17-7-4-3-5-8-17)27-25(20)28-24(19)21;1-14(2)12-17-8-9-19-18-6-5-7-20(22(18)26-23(19)25-17)21-13-16(15(3)4)10-11-24-21;1-13(2)15-10-11-23-20(12-15)18-7-5-6-16-17-8-9-19(14(3)4)24-22(17)25-21(16)18;1-4-15-8-9-17-16-6-5-7-18(20(16)24-21(17)23-15)19-12-14(13(2)3)10-11-22-19;1-12(2)14-9-10-21-18(11-14)17-6-4-5-15-16-8-7-13(3)22-20(16)23-19(15)17;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h6,9,11-17H,3-5,7-8H2,1-2H3;5-6,8-11,13-15H,12H2,1-4H3;5-6,8-14H,1-4H3;5-6,8-13H,4H2,1-3H3;4-5,7-12H,1-3H3;5*1-6,8-9H;;;;;/q10*-1;;;;;/i7D2,8D2,17D;1D3,3D3,14D,15D;1D3,13D,14D;2D3,13D;1D3,12D;;;;;;;;;;
InChIKeyKYLFMEQPGRFJHI-FXVOHFPPSA-N
MW3417.33 g/mol
LogP42.80
Rot. Bonds25

About 2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide

2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 159383918) has the molecular formula C166H145Ir5N15O5-10 and a molecular weight of 3417.33 g/mol. Its IUPAC name is 2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

Compound Name2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
PubChem CID159383918
Molecular FormulaC166H145Ir5N15O5-10
Molecular Weight3417.33 g/mol
Exact Mass3419.14
IUPAC Name2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
SMILES[2H]C(C)(C)c1ccc2c(n1)oc1c(-c3cc(C([2H])(C)C([2H])([2H])[2H])ccn3)[c-]ccc12.[2H]C([2H])([2H])C([2H])(C)Cc1ccc2c(n1)oc1c(-c3cc(C([2H])(C)C([2H])([2H])[2H])ccn3)[c-]ccc12.[2H]C([2H])([2H])C([2H])(C)c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1.[2H]C([2H])([2H])C([2H])(C)c1ccnc(-c2[c-]ccc3c2oc2nc(CC)ccc23)c1.[2H]C1([2H])CCCC([2H])([2H])C1([2H])c1ccc2c(n1)oc1c(-c3cc(C(C)C)ccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H25N2O.C23H23N2O.C22H21N2O.C21H19N2O.C20H17N2O.5C11H8N.5Ir/c1-16(2)18-13-14-26-23(15-18)21-10-6-9-19-20-11-12-22(17-7-4-3-5-8-17)27-25(20)28-24(19)21;1-14(2)12-17-8-9-19-18-6-5-7-20(22(18)26-23(19)25-17)21-13-16(15(3)4)10-11-24-21;1-13(2)15-10-11-23-20(12-15)18-7-5-6-16-17-8-9-19(14(3)4)24-22(17)25-21(16)18;1-4-15-8-9-17-16-6-5-7-18(20(16)24-21(17)23-15)19-12-14(13(2)3)10-11-22-19;1-12(2)14-9-10-21-18(11-14)17-6-4-5-15-16-8-7-13(3)22-20(16)23-19(15)17;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h6,9,11-17H,3-5,7-8H2,1-2H3;5-6,8-11,13-15H,12H2,1-4H3;5-6,8-14H,1-4H3;5-6,8-13H,4H2,1-3H3;4-5,7-12H,1-3H3;5*1-6,8-9H;;;;;/q10*-1;;;;;/i7D2,8D2,17D;1D3,3D3,14D,15D;1D3,13D,14D;2D3,13D;1D3,12D;;;;;;;;;;
InChIKeyKYLFMEQPGRFJHI-FXVOHFPPSA-N
XLogP42.80
TPSA259.05 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003417.33
LogP ≤ 542.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide with MolForge

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Launch Full Analysis

Related Compounds

2-cyclohexyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-cyclopentyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;hexakis(iridium);hexakis(2-phenylpyridine)
CID 160924969
2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 159482380
8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-phenylpyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)
CID 159013793
tris(iridium);tris(4-methyl-2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 158239039
8-(4-tert-butyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-methyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
CID 160852920
bis(4-(3-deuteriopentan-3-yl)-2-phenylpyridine);bis(4-(3-deuteriopentan-3-yl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide)
CID 161266784
2-tert-butyl-8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;5-methyl-2-phenylpyridine
CID 154591082
2-tert-butyl-8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);tris(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2-propan-2-yl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 161292703
[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 155610776
iridium;2-methyl-8-(4-quinolin-6-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine
CID 176779388
8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 155612333
iridium;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155610911

Frequently Asked Questions

What is the IUPAC name of 2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
The IUPAC name of 2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 159383918) is 2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.
What is the SMILES notation for 2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
The canonical SMILES for 2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is [2H]C(C)(C)c1ccc2c(n1)oc1c(-c3cc(C([2H])(C)C([2H])([2H])[2H])ccn3)[c-]ccc12.[2H]C([2H])([2H])C([2H])(C)Cc1ccc2c(n1)oc1c(-c3cc(C([2H])(C)C([2H])([2H])[2H])ccn3)[c-]ccc12.[2H]C([2H])([2H])C([2H])(C)c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1.[2H]C([2H])([2H])C([2H])(C)c1ccnc(-c2[c-]ccc3c2oc2nc(CC)ccc23)c1.[2H]C1([2H])CCCC([2H])([2H])C1([2H])c1ccc2c(n1)oc1c(-c3cc(C(C)C)ccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
The InChIKey is KYLFMEQPGRFJHI-FXVOHFPPSA-N. The full InChI is InChI=1S/C25H25N2O.C23H23N2O.C22H21N2O.C21H19N2O.C20H17N2O.5C11H8N.5Ir/c1-16(2)18-13-14-26-23(15-18)21-10-6-9-19-20-11-12-22(17-7-4-3-5-8-17)27-25(20)28-24(19)21;1-14(2)12-17-8-9-19-18-6-5-7-20(22(18)26-23(19)25-17)21-13-16(15(3)4)10-11-24-21;1-13(2)15-10-11-23-20(12-15)18-7-5-6-16-17-8-9-19(14(3)4)24-22(17)25-21(16)18;1-4-15-8-9-17-16-6-5-7-18(20(16)24-21(17)23-15)19-12-14(13(2)3)10-11-22-19;1-12(2)14-9-10-21-18(11-14)17-6-4-5-15-16-8-7-13(3)22-20(16)23-19(15)17;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h6,9,11-17H,3-5,7-8H2,1-2H3;5-6,8-11,13-15H,12H2,1-4H3;5-6,8-14H,1-4H3;5-6,8-13H,4H2,1-3H3;4-5,7-12H,1-3H3;5*1-6,8-9H;;;;;/q10*-1;;;;;/i7D2,8D2,17D;1D3,3D3,14D,15D;1D3,13D,14D;2D3,13D;1D3,12D;;;;;;;;;;.
What are the key properties of 2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 3417.33 g/mol, XLogP of 42.80, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-deuteriopropan-2-yl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenylpyridine);2-(2,3,3,3-tetradeuterio-2-methylpropyl)-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 159383918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).