bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine

C157H136Ir5N10O5-10 — CID 157307139

IUPACbis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine
SMILESCC1=CC=C(c2ccc(C)cn2)[CH-]C1.[2H]C([2H])([2H])C1=CN=C(c2[c-]cc(C([2H])([2H])[2H])cc2)CC1.[2H]C([2H])([2H])C1=CN=C(c2[c-]cc(C([2H])([2H])[2H])cc2)CC1C.[2H]C1(c2ccc(C3=CC=C(C)C[CH-]3)nc2)CC1.[2H]C1C(C([2H])([2H])[2H])=CN=C(c2[c-]ccc3c2oc2ccccc23)C1[2H].[2H]c1c(C([2H])([2H])[2H])cnc(-c2[c-]cc(C([2H])([2H])[2H])cc2)c1[2H].[2H]c1c(C([2H])([2H])[2H])cnc(-c2[c-]ccc3c2oc2ccccc23)c1[2H].[2H]c1c(C([2H])([2H])[2H])cnc(-c2[c-]cccc3ccccc3oc2)c1[2H].[2H]c1c(C([2H])([2H])[2H])cnc(-c2[c-]cccc3ccccc3oc2)c1[2H].[2H]c1nc(-c2[c-]ccc3c2oc2ccccc23)c([2H])c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C18H14NO.C18H12NO.2C18H14NO.C17H10NO.C15H16N.C14H16N.2C13H14N.C13H12N.5Ir/c2*1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;2*1-14-10-11-17(19-12-14)16-8-3-2-6-15-7-4-5-9-18(15)20-13-16;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-11-2-4-13(5-3-11)15-9-8-14(10-16-15)12-6-7-12;1-10-4-6-13(7-5-10)14-8-11(2)12(3)9-15-14;3*1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;;/h2-6,8,11H,9-10H2,1H3;2-6,8-11H,1H3;2*2-7,9-13H,1H3;1-7,9-11H;2,4-5,8-10,12H,3,6-7H2,1H3;4-6,9,11H,8H2,1-3H3;3,5-9H,4H2,1-2H3;3-4,6,9H,5,8H2,1-2H3;3-6,8-9H,1-2H3;;;;;/q10*-1;;;;;/b;;2*6-2-,16-13+;;;;;;;;;;;/i2*1D3,9D,10D;2*1D3,10D,11D;3D,4D,9D,11D;12D;1D3,3D3;;1D3,2D3;1D3,2D3,5D,8D;;;;;
InChIKeyBRNKWQMJNHHBFQ-IXIRJUEMSA-N
MW3249.24 g/mol
LogP40.72
Rot. Bonds21

About bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine

bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine (PubChem CID 157307139) has the molecular formula C157H136Ir5N10O5-10 and a molecular weight of 3249.24 g/mol. Its IUPAC name is bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine.

Molecular Properties

Compound Namebis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine
PubChem CID157307139
Molecular FormulaC157H136Ir5N10O5-10
Molecular Weight3249.24 g/mol
Exact Mass3251.17
IUPAC Namebis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine
SMILESCC1=CC=C(c2ccc(C)cn2)[CH-]C1.[2H]C([2H])([2H])C1=CN=C(c2[c-]cc(C([2H])([2H])[2H])cc2)CC1.[2H]C([2H])([2H])C1=CN=C(c2[c-]cc(C([2H])([2H])[2H])cc2)CC1C.[2H]C1(c2ccc(C3=CC=C(C)C[CH-]3)nc2)CC1.[2H]C1C(C([2H])([2H])[2H])=CN=C(c2[c-]ccc3c2oc2ccccc23)C1[2H].[2H]c1c(C([2H])([2H])[2H])cnc(-c2[c-]cc(C([2H])([2H])[2H])cc2)c1[2H].[2H]c1c(C([2H])([2H])[2H])cnc(-c2[c-]ccc3c2oc2ccccc23)c1[2H].[2H]c1c(C([2H])([2H])[2H])cnc(-c2[c-]cccc3ccccc3oc2)c1[2H].[2H]c1c(C([2H])([2H])[2H])cnc(-c2[c-]cccc3ccccc3oc2)c1[2H].[2H]c1nc(-c2[c-]ccc3c2oc2ccccc23)c([2H])c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C18H14NO.C18H12NO.2C18H14NO.C17H10NO.C15H16N.C14H16N.2C13H14N.C13H12N.5Ir/c2*1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;2*1-14-10-11-17(19-12-14)16-8-3-2-6-15-7-4-5-9-18(15)20-13-16;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-11-2-4-13(5-3-11)15-9-8-14(10-16-15)12-6-7-12;1-10-4-6-13(7-5-10)14-8-11(2)12(3)9-15-14;3*1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;;/h2-6,8,11H,9-10H2,1H3;2-6,8-11H,1H3;2*2-7,9-13H,1H3;1-7,9-11H;2,4-5,8-10,12H,3,6-7H2,1H3;4-6,9,11H,8H2,1-3H3;3,5-9H,4H2,1-2H3;3-4,6,9H,5,8H2,1-2H3;3-6,8-9H,1-2H3;;;;;/q10*-1;;;;;/b;;2*6-2-,16-13+;;;;;;;;;;;/i2*1D3,9D,10D;2*1D3,10D,11D;3D,4D,9D,11D;12D;1D3,3D3;;1D3,2D3;1D3,2D3,5D,8D;;;;;
InChIKeyBRNKWQMJNHHBFQ-IXIRJUEMSA-N
XLogP40.72
TPSA193.01 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003249.24
LogP ≤ 540.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine with MolForge

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Launch Full Analysis

Related Compounds

bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);2-cyclohexa-1,3-dien-1-yl-4-methyl-5-(trideuteriomethyl)pyridine;5-cyclohexyl-4-methyl-2-phenyl-3,4-dihydropyridine;4-ethyl-2-phenyl-5-propan-2-ylpyridine;pentakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-3,4-dihydropyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-[6-(1-deuteriocyclohexyl)-3H-dibenzofuran-3-id-4-yl]pyridine;3,4,5,6-tetradeuterio-2-(3H-dibenzofuran-3-id-4-yl)-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-[6,7,9-trideuterio-8-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine
CID 159350519
2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine
CID 154587699
iridium;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine
CID 154587965
[2-deuterio-1-(2H-dibenzofuran-2-id-1-yl)ethenyl]-(1,2,3-trideuterioprop-2-enyl)azanide;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4,5-dideuterio-6-(3H-dibenzofuran-3-id-4-yl)-3-(trideuteriomethyl)-2H-pyridin-1-ide;2-hexa-1,5-dien-2-yl-5-methylpyridine;bis(iridium);tris(iridium(3+));5-methyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)-2H-pyridin-1-ide
CID 158505090
iridium;8-(3,4,5,6-tetradeuterio-2-pyridinyl)-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 154587948
CID 159166541
CID 159166541
iridium;5-methyl-2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2-methyl-7H-[1]benzothiolo[5,6-b][1]benzofuran-7-id-8-yl)pyridine
CID 168829933
2-(3H-dibenzofuran-3-id-4-yl)-[1]benzofuro[2,3-d][1,3]oxazole;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 164756801
tris(8-[5-(1-deuterio-4-methyl-4-phenylcyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tris(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;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 159589082
2-(3H-dibenzofuran-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 156621854
4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)pyridine;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 162454597
tetrakis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-5-(trideuteriomethyl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 160684487

Frequently Asked Questions

What is the IUPAC name of bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine?
The IUPAC name of bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine (CID 157307139) is bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine.
What is the SMILES notation for bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine?
The canonical SMILES for bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine is CC1=CC=C(c2ccc(C)cn2)[CH-]C1.[2H]C([2H])([2H])C1=CN=C(c2[c-]cc(C([2H])([2H])[2H])cc2)CC1.[2H]C([2H])([2H])C1=CN=C(c2[c-]cc(C([2H])([2H])[2H])cc2)CC1C.[2H]C1(c2ccc(C3=CC=C(C)C[CH-]3)nc2)CC1.[2H]C1C(C([2H])([2H])[2H])=CN=C(c2[c-]ccc3c2oc2ccccc23)C1[2H].[2H]c1c(C([2H])([2H])[2H])cnc(-c2[c-]cc(C([2H])([2H])[2H])cc2)c1[2H].[2H]c1c(C([2H])([2H])[2H])cnc(-c2[c-]ccc3c2oc2ccccc23)c1[2H].[2H]c1c(C([2H])([2H])[2H])cnc(-c2[c-]cccc3ccccc3oc2)c1[2H].[2H]c1c(C([2H])([2H])[2H])cnc(-c2[c-]cccc3ccccc3oc2)c1[2H].[2H]c1nc(-c2[c-]ccc3c2oc2ccccc23)c([2H])c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine?
The InChIKey is BRNKWQMJNHHBFQ-IXIRJUEMSA-N. The full InChI is InChI=1S/C18H14NO.C18H12NO.2C18H14NO.C17H10NO.C15H16N.C14H16N.2C13H14N.C13H12N.5Ir/c2*1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;2*1-14-10-11-17(19-12-14)16-8-3-2-6-15-7-4-5-9-18(15)20-13-16;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-11-2-4-13(5-3-11)15-9-8-14(10-16-15)12-6-7-12;1-10-4-6-13(7-5-10)14-8-11(2)12(3)9-15-14;3*1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;;/h2-6,8,11H,9-10H2,1H3;2-6,8-11H,1H3;2*2-7,9-13H,1H3;1-7,9-11H;2,4-5,8-10,12H,3,6-7H2,1H3;4-6,9,11H,8H2,1-3H3;3,5-9H,4H2,1-2H3;3-4,6,9H,5,8H2,1-2H3;3-6,8-9H,1-2H3;;;;;/q10*-1;;;;;/b;;2*6-2-,16-13+;;;;;;;;;;;/i2*1D3,9D,10D;2*1D3,10D,11D;3D,4D,9D,11D;12D;1D3,3D3;;1D3,2D3;1D3,2D3,5D,8D;;;;;.
What are the key properties of bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine?
bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine has a molecular weight of 3249.24 g/mol, XLogP of 40.72, 21 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine is sourced from PubChem (CID 157307139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).