8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)

C181H198Ir4N12O4Si4-8 — CID 163644642

IUPAC8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)
SMILES[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C(C)(C)C4CCCC4)ccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C(C)C)c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C4([2H])CCCCC4)ccn3)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCC1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCC1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCC1.[2H]C1(c2cc(-c3[c-]cccc3)ncc2[Si](C)(C)C)CCCC1.[2H]c1c([2H])c([2H])c(-c2c[c-]c(-c3cc(C([2H])([2H])C4CC5CCC4CC5)ccn3)c3oc4nc(C([2H])([2H])[2H])ccc4c23)c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C32H29N2O.C25H25N2O.C23H21N2O.C22H21N2O.3C20H26NSi.C19H24NSi.4Ir/c1-20-7-12-28-30-26(24-5-3-2-4-6-24)13-14-27(31(30)35-32(28)34-20)29-19-22(15-16-33-29)18-25-17-21-8-10-23(25)11-9-21;1-16-11-12-20-19-9-6-10-21(23(19)28-24(20)27-16)22-15-18(13-14-26-22)25(2,3)17-7-4-5-8-17;1-15-10-11-19-18-8-5-9-20(22(18)26-23(19)25-15)21-14-17(12-13-24-21)16-6-3-2-4-7-16;1-13(2)10-16-11-20(23-12-14(16)3)19-7-5-6-17-18-9-8-15(4)24-22(18)25-21(17)19;3*1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;1-21(2,3)19-14-20-18(16-11-5-4-6-12-16)13-17(19)15-9-7-8-10-15;;;;/h2-7,12-13,15-16,19,21,23,25H,8-11,17-18H2,1H3;6,9,11-15,17H,4-5,7-8H2,1-3H3;5,8,10-14,16H,2-4,6-7H2,1H3;5-6,8-9,11-13H,10H2,1-4H3;3*4-6,11,14-16H,7-10,13H2,1-3H3;4-6,11,13-15H,7-10H2,1-3H3;;;;/q8*-1;;;;/i1D3,2D,3D,4D,5D,6D,18D2;1D3;1D3,16D;3D3,4D3,10D2;3*13D2;15D;;;;
InChIKeyUMFNMTYUCPMOAP-FZIJPNOISA-N
MW3519.06 g/mol
LogP45.89
Rot. Bonds32

About 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)

8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium) (PubChem CID 163644642) has the molecular formula C181H198Ir4N12O4Si4-8 and a molecular weight of 3519.06 g/mol. Its IUPAC name is 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium).

Molecular Properties

Compound Name8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)
PubChem CID163644642
Molecular FormulaC181H198Ir4N12O4Si4-8
Molecular Weight3519.06 g/mol
Exact Mass3519.53
IUPAC Name8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)
SMILES[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C(C)(C)C4CCCC4)ccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C(C)C)c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C4([2H])CCCCC4)ccn3)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCC1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCC1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCC1.[2H]C1(c2cc(-c3[c-]cccc3)ncc2[Si](C)(C)C)CCCC1.[2H]c1c([2H])c([2H])c(-c2c[c-]c(-c3cc(C([2H])([2H])C4CC5CCC4CC5)ccn3)c3oc4nc(C([2H])([2H])[2H])ccc4c23)c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C32H29N2O.C25H25N2O.C23H21N2O.C22H21N2O.3C20H26NSi.C19H24NSi.4Ir/c1-20-7-12-28-30-26(24-5-3-2-4-6-24)13-14-27(31(30)35-32(28)34-20)29-19-22(15-16-33-29)18-25-17-21-8-10-23(25)11-9-21;1-16-11-12-20-19-9-6-10-21(23(19)28-24(20)27-16)22-15-18(13-14-26-22)25(2,3)17-7-4-5-8-17;1-15-10-11-19-18-8-5-9-20(22(18)26-23(19)25-15)21-14-17(12-13-24-21)16-6-3-2-4-7-16;1-13(2)10-16-11-20(23-12-14(16)3)19-7-5-6-17-18-9-8-15(4)24-22(18)25-21(17)19;3*1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;1-21(2,3)19-14-20-18(16-11-5-4-6-12-16)13-17(19)15-9-7-8-10-15;;;;/h2-7,12-13,15-16,19,21,23,25H,8-11,17-18H2,1H3;6,9,11-15,17H,4-5,7-8H2,1-3H3;5,8,10-14,16H,2-4,6-7H2,1H3;5-6,8-9,11-13H,10H2,1-4H3;3*4-6,11,14-16H,7-10,13H2,1-3H3;4-6,11,13-15H,7-10H2,1-3H3;;;;/q8*-1;;;;/i1D3,2D,3D,4D,5D,6D,18D2;1D3;1D3,16D;3D3,4D3,10D2;3*13D2;15D;;;;
InChIKeyUMFNMTYUCPMOAP-FZIJPNOISA-N
XLogP45.89
TPSA207.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003519.06
LogP ≤ 545.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)?
The IUPAC name of 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium) (CID 163644642) is 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium).
What is the SMILES notation for 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)?
The canonical SMILES for 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium) is [2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C(C)(C)C4CCCC4)ccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C(C)C)c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C4([2H])CCCCC4)ccn3)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCC1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCC1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCC1.[2H]C1(c2cc(-c3[c-]cccc3)ncc2[Si](C)(C)C)CCCC1.[2H]c1c([2H])c([2H])c(-c2c[c-]c(-c3cc(C([2H])([2H])C4CC5CCC4CC5)ccn3)c3oc4nc(C([2H])([2H])[2H])ccc4c23)c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)?
The InChIKey is UMFNMTYUCPMOAP-FZIJPNOISA-N. The full InChI is InChI=1S/C32H29N2O.C25H25N2O.C23H21N2O.C22H21N2O.3C20H26NSi.C19H24NSi.4Ir/c1-20-7-12-28-30-26(24-5-3-2-4-6-24)13-14-27(31(30)35-32(28)34-20)29-19-22(15-16-33-29)18-25-17-21-8-10-23(25)11-9-21;1-16-11-12-20-19-9-6-10-21(23(19)28-24(20)27-16)22-15-18(13-14-26-22)25(2,3)17-7-4-5-8-17;1-15-10-11-19-18-8-5-9-20(22(18)26-23(19)25-15)21-14-17(12-13-24-21)16-6-3-2-4-7-16;1-13(2)10-16-11-20(23-12-14(16)3)19-7-5-6-17-18-9-8-15(4)24-22(18)25-21(17)19;3*1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;1-21(2,3)19-14-20-18(16-11-5-4-6-12-16)13-17(19)15-9-7-8-10-15;;;;/h2-7,12-13,15-16,19,21,23,25H,8-11,17-18H2,1H3;6,9,11-15,17H,4-5,7-8H2,1-3H3;5,8,10-14,16H,2-4,6-7H2,1H3;5-6,8-9,11-13H,10H2,1-4H3;3*4-6,11,14-16H,7-10,13H2,1-3H3;4-6,11,13-15H,7-10H2,1-3H3;;;;/q8*-1;;;;/i1D3,2D,3D,4D,5D,6D,18D2;1D3;1D3,16D;3D3,4D3,10D2;3*13D2;15D;;;;.
What are the key properties of 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)?
8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium) has a molecular weight of 3519.06 g/mol, XLogP of 45.89, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium) is sourced from PubChem (CID 163644642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).