3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane

C139H174N10O6 — CID 162301976

IUPAC3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane
SMILES[2H]C([2H])([2H])C1(C)C(C)N(c2c(C)ccc3c2oc2ccccc23)C(C)(C)C1([2H])[2H].[2H]C([2H])([2H])C1(C)C(C)N(c2c(C)ccc3c2oc2nc(C)ccc23)C(C)(C)C1([2H])[2H].[2H]C([2H])([2H])C1(C)C(C)N(c2c(C)ccc3c2oc2ncccc23)C(C)(C)C1([2H])[2H].[2H]C1([2H])C2(CCCCC2)C(C)N(c2c(C)ccc3c2oc2ccccc23)C1(C)C.[2H]C1([2H])C2(CCCCC2)C(C)N(c2c(C)ccc3c2oc2nc(C)ccc23)C1(C)C.[2H]C1([2H])C2(CCCCC2)C(C)N(c2c(C)ccc3c2oc2ncccc23)C1(C)C
InChIInChI=1S/C25H32N2O.C25H31NO.C24H30N2O.C22H28N2O.C22H27NO.C21H26N2O/c1-16-9-11-19-20-12-10-17(2)26-23(20)28-22(19)21(16)27-18(3)25(15-24(27,4)5)13-7-6-8-14-25;1-17-12-13-20-19-10-6-7-11-21(19)27-23(20)22(17)26-18(2)25(16-24(26,3)4)14-8-5-9-15-25;1-16-10-11-18-19-9-8-14-25-22(19)27-21(18)20(16)26-17(2)24(15-23(26,3)4)12-6-5-7-13-24;1-13-8-10-16-17-11-9-14(2)23-20(17)25-19(16)18(13)24-15(3)21(4,5)12-22(24,6)7;1-14-11-12-17-16-9-7-8-10-18(16)24-20(17)19(14)23-15(2)21(3,4)13-22(23,5)6;1-13-9-10-15-16-8-7-11-22-19(16)24-18(15)17(13)23-14(2)20(3,4)12-21(23,5)6/h9-12,18H,6-8,13-15H2,1-5H3;6-7,10-13,18H,5,8-9,14-16H2,1-4H3;8-11,14,17H,5-7,12-13,15H2,1-4H3;8-11,15H,12H2,1-7H3;7-12,15H,13H2,1-6H3;7-11,14H,12H2,1-6H3/i15D2;16D2;15D2;4D3,12D2;3D3,13D2;3D3,12D2
InChIKeyKEBMRKLMKDDMFS-QCUFKHRBSA-N
MW2102.11 g/mol
LogP38.76
Rot. Bonds9

About 3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane

3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane (PubChem CID 162301976) has the molecular formula C139H174N10O6 and a molecular weight of 2102.11 g/mol. Its IUPAC name is 3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane
PubChem CID162301976
Molecular FormulaC139H174N10O6
Molecular Weight2102.11 g/mol
Exact Mass2100.49
IUPAC Name3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane
SMILES[2H]C([2H])([2H])C1(C)C(C)N(c2c(C)ccc3c2oc2ccccc23)C(C)(C)C1([2H])[2H].[2H]C([2H])([2H])C1(C)C(C)N(c2c(C)ccc3c2oc2nc(C)ccc23)C(C)(C)C1([2H])[2H].[2H]C([2H])([2H])C1(C)C(C)N(c2c(C)ccc3c2oc2ncccc23)C(C)(C)C1([2H])[2H].[2H]C1([2H])C2(CCCCC2)C(C)N(c2c(C)ccc3c2oc2ccccc23)C1(C)C.[2H]C1([2H])C2(CCCCC2)C(C)N(c2c(C)ccc3c2oc2nc(C)ccc23)C1(C)C.[2H]C1([2H])C2(CCCCC2)C(C)N(c2c(C)ccc3c2oc2ncccc23)C1(C)C
InChIInChI=1S/C25H32N2O.C25H31NO.C24H30N2O.C22H28N2O.C22H27NO.C21H26N2O/c1-16-9-11-19-20-12-10-17(2)26-23(20)28-22(19)21(16)27-18(3)25(15-24(27,4)5)13-7-6-8-14-25;1-17-12-13-20-19-10-6-7-11-21(19)27-23(20)22(17)26-18(2)25(16-24(26,3)4)14-8-5-9-15-25;1-16-10-11-18-19-9-8-14-25-22(19)27-21(18)20(16)26-17(2)24(15-23(26,3)4)12-6-5-7-13-24;1-13-8-10-16-17-11-9-14(2)23-20(17)25-19(16)18(13)24-15(3)21(4,5)12-22(24,6)7;1-14-11-12-17-16-9-7-8-10-18(16)24-20(17)19(14)23-15(2)21(3,4)13-22(23,5)6;1-13-9-10-15-16-8-7-11-22-19(16)24-18(15)17(13)23-14(2)20(3,4)12-21(23,5)6/h9-12,18H,6-8,13-15H2,1-5H3;6-7,10-13,18H,5,8-9,14-16H2,1-4H3;8-11,14,17H,5-7,12-13,15H2,1-4H3;8-11,15H,12H2,1-7H3;7-12,15H,13H2,1-6H3;7-11,14H,12H2,1-6H3/i15D2;16D2;15D2;4D3,12D2;3D3,13D2;3D3,12D2
InChIKeyKEBMRKLMKDDMFS-QCUFKHRBSA-N
XLogP38.76
TPSA149.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002102.11
LogP ≤ 538.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane with MolForge

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Launch Full Analysis

Related Compounds

(1S)-4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane
CID 158953609
8-[(5S)-3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(1S)-4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;(1S)-4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium;2-methyl-1-(2-methylphenyl)pyrrole
CID 158953607
8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
CID 162285411
(2S)-2,3,3-trimethyl-1-(3-methyldibenzofuran-4-yl)-1-azaspiro[4.5]decane
CID 147607330
8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,5-trimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyrazolidine
CID 162285426
8-[(2S)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]
CID 162089892
2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 162296034
8-[3,3-dideuterio-2,2-dimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-3,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;3,3-dideuterio-2,2-dimethyl-1-(3-methyldibenzofuran-4-yl)-4,4-bis(trideuteriomethyl)pyrrolidine;ethane;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-indole;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-pyrrolo[2,3-b]pyridine
CID 158635417
2-methyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-tetracyclo[5.3.1.03,9.05,9]undecane];2,2,4,4,5-pentamethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine;1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-pyrrolo[2,3-b]pyridine
CID 162296903
2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 137448457
(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 135202315
5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 146363443

Frequently Asked Questions

What is the IUPAC name of 3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane?
The IUPAC name of 3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane (CID 162301976) is 3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane.
What is the SMILES notation for 3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane?
The canonical SMILES for 3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane is [2H]C([2H])([2H])C1(C)C(C)N(c2c(C)ccc3c2oc2ccccc23)C(C)(C)C1([2H])[2H].[2H]C([2H])([2H])C1(C)C(C)N(c2c(C)ccc3c2oc2nc(C)ccc23)C(C)(C)C1([2H])[2H].[2H]C([2H])([2H])C1(C)C(C)N(c2c(C)ccc3c2oc2ncccc23)C(C)(C)C1([2H])[2H].[2H]C1([2H])C2(CCCCC2)C(C)N(c2c(C)ccc3c2oc2ccccc23)C1(C)C.[2H]C1([2H])C2(CCCCC2)C(C)N(c2c(C)ccc3c2oc2nc(C)ccc23)C1(C)C.[2H]C1([2H])C2(CCCCC2)C(C)N(c2c(C)ccc3c2oc2ncccc23)C1(C)C.
What is the InChIKey of 3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane?
The InChIKey is KEBMRKLMKDDMFS-QCUFKHRBSA-N. The full InChI is InChI=1S/C25H32N2O.C25H31NO.C24H30N2O.C22H28N2O.C22H27NO.C21H26N2O/c1-16-9-11-19-20-12-10-17(2)26-23(20)28-22(19)21(16)27-18(3)25(15-24(27,4)5)13-7-6-8-14-25;1-17-12-13-20-19-10-6-7-11-21(19)27-23(20)22(17)26-18(2)25(16-24(26,3)4)14-8-5-9-15-25;1-16-10-11-18-19-9-8-14-25-22(19)27-21(18)20(16)26-17(2)24(15-23(26,3)4)12-6-5-7-13-24;1-13-8-10-16-17-11-9-14(2)23-20(17)25-19(16)18(13)24-15(3)21(4,5)12-22(24,6)7;1-14-11-12-17-16-9-7-8-10-18(16)24-20(17)19(14)23-15(2)21(3,4)13-22(23,5)6;1-13-9-10-15-16-8-7-11-22-19(16)24-18(15)17(13)23-14(2)20(3,4)12-21(23,5)6/h9-12,18H,6-8,13-15H2,1-5H3;6-7,10-13,18H,5,8-9,14-16H2,1-4H3;8-11,14,17H,5-7,12-13,15H2,1-4H3;8-11,15H,12H2,1-7H3;7-12,15H,13H2,1-6H3;7-11,14H,12H2,1-6H3/i15D2;16D2;15D2;4D3,12D2;3D3,13D2;3D3,12D2.
What are the key properties of 3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane?
3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane has a molecular weight of 2102.11 g/mol, XLogP of 38.76, 9 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane is sourced from PubChem (CID 162301976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).