sodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide

C158H158Cl6F3N16NaO22Pd2S4 — CID 157392661

IUPACsodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide
SMILESC1=CC(n2c3ccccc3c3ccccc32)COC1.CC1C=CCOC1.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.ClC(Cl)Cl.N[C@@H]1COCC(n2c3ccccc3c3ccccc32)[C@H]1O.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=S(=O)(N[C@@H]1COCC(n2c3ccccc3c3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1.O=S(Cl)Cl.O=S1OC2C(n3c4ccccc4c4ccccc43)COC[C@@H]2O1.O[C@@H]1C(n2c3ccccc3c3ccccc32)COC[C@@H]1O.[N-]=[N+]=N[C@@H]1COCC(n2c3ccccc3c3ccccc32)[C@H]1O.[N-]=[N+]=[N-].[Na+].[Pd].[Pd].c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C24H21F3N2O5S.C17H16N4O2.C17H18N2O2.C17H15NO4S.C17H17NO3.C17H15NO.C17H14O.C12H9N.C7H7ClO2S.C6H15N.C6H10O.CHCl3.Cl2OS.N3.Na.2Pd/c25-24(26,27)34-15-9-11-16(12-10-15)35(31,32)28-19-13-33-14-22(23(19)30)29-20-7-3-1-5-17(20)18-6-2-4-8-21(18)29;18-20-19-13-9-23-10-16(17(13)22)21-14-7-3-1-5-11(14)12-6-2-4-8-15(12)21;18-13-9-21-10-16(17(13)20)19-14-7-3-1-5-11(14)12-6-2-4-8-15(12)19;19-23-21-16-10-20-9-15(17(16)22-23)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18;19-16-10-21-9-15(17(16)20)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18;1-3-9-16-14(7-1)15-8-2-4-10-17(15)18(16)13-6-5-11-19-12-13;18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3;1-6-3-2-4-7-5-6;2-1(3)4;1-4(2)3;1-3-2;;;/h1-12,19,22-23,28,30H,13-14H2;1-8,13,16-17,22H,9-10H2;1-8,13,16-17,20H,9-10,18H2;1-8,15-17H,9-10H2;1-8,15-17,19-20H,9-10H2;1-10,13H,11-12H2;1-14H;1-8,13H;2-5H,1H3;4-6H2,1-3H3;2-3,6H,4-5H2,1H3;1H;;;;;/q;;;;;;;;;;;;;-1;+1;;/b;;;;;;13-11+,14-12+;;;;;;;;;;/t19-,22?,23+;2*13-,16?,17+;15?,16-,17?,23?;15?,16-,17+;;;;;;;;;;;;/m11100............/s1
InChIKeyPDRJOUWJLVWTLC-QGGGLVSZSA-N
MW3266.90 g/mol
LogP30.85
Rot. Bonds19

About sodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide

sodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide (PubChem CID 157392661) has the molecular formula C158H158Cl6F3N16NaO22Pd2S4 and a molecular weight of 3266.90 g/mol. Its IUPAC name is sodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide.

Molecular Properties

Compound Namesodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide
PubChem CID157392661
Molecular FormulaC158H158Cl6F3N16NaO22Pd2S4
Molecular Weight3266.90 g/mol
Exact Mass3260.67
IUPAC Namesodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide
SMILESC1=CC(n2c3ccccc3c3ccccc32)COC1.CC1C=CCOC1.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.ClC(Cl)Cl.N[C@@H]1COCC(n2c3ccccc3c3ccccc32)[C@H]1O.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=S(=O)(N[C@@H]1COCC(n2c3ccccc3c3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1.O=S(Cl)Cl.O=S1OC2C(n3c4ccccc4c4ccccc43)COC[C@@H]2O1.O[C@@H]1C(n2c3ccccc3c3ccccc32)COC[C@@H]1O.[N-]=[N+]=N[C@@H]1COCC(n2c3ccccc3c3ccccc32)[C@H]1O.[N-]=[N+]=[N-].[Na+].[Pd].[Pd].c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C24H21F3N2O5S.C17H16N4O2.C17H18N2O2.C17H15NO4S.C17H17NO3.C17H15NO.C17H14O.C12H9N.C7H7ClO2S.C6H15N.C6H10O.CHCl3.Cl2OS.N3.Na.2Pd/c25-24(26,27)34-15-9-11-16(12-10-15)35(31,32)28-19-13-33-14-22(23(19)30)29-20-7-3-1-5-17(20)18-6-2-4-8-21(18)29;18-20-19-13-9-23-10-16(17(13)22)21-14-7-3-1-5-11(14)12-6-2-4-8-15(12)21;18-13-9-21-10-16(17(13)20)19-14-7-3-1-5-11(14)12-6-2-4-8-15(12)19;19-23-21-16-10-20-9-15(17(16)22-23)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18;19-16-10-21-9-15(17(16)20)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18;1-3-9-16-14(7-1)15-8-2-4-10-17(15)18(16)13-6-5-11-19-12-13;18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3;1-6-3-2-4-7-5-6;2-1(3)4;1-4(2)3;1-3-2;;;/h1-12,19,22-23,28,30H,13-14H2;1-8,13,16-17,22H,9-10H2;1-8,13,16-17,20H,9-10,18H2;1-8,15-17H,9-10H2;1-8,15-17,19-20H,9-10H2;1-10,13H,11-12H2;1-14H;1-8,13H;2-5H,1H3;4-6H2,1-3H3;2-3,6H,4-5H2,1H3;1H;;;;;/q;;;;;;;;;;;;;-1;+1;;/b;;;;;;13-11+,14-12+;;;;;;;;;;/t19-,22?,23+;2*13-,16?,17+;15?,16-,17?,23?;15?,16-,17+;;;;;;;;;;;;/m11100............/s1
InChIKeyPDRJOUWJLVWTLC-QGGGLVSZSA-N
XLogP30.85
TPSA507.06 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds19
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003266.90
LogP ≤ 530.85
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze sodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide with MolForge

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Related Compounds

(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]carbazole;4-methylbenzenesulfonyl chloride
CID 157474830
N-benzyl-N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(3R)-3,6-dihydro-2H-pyran-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(1S,5S,6R)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 159273225
sodium;tert-butyl (3aS,7S,7aR)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3R,4S,5S)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4R,5S)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;9H-carbazole;N-[(3R,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride;thionyl dichloride;azide
CID 159585427
(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride
CID 160573165
sodium;(3aS,7S,7aR)-7-(3,6-difluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-difluorocarbazole;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide
CID 160931334
(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride
CID 161363525
sodium;(3aS,7S,7aR)-7-(3,6-dichlorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-dichlorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-dichlorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;3,6-dichloro-9H-carbazole;(3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol;3,6-dichloro-9-[(3R)-3,6-dihydro-2H-pyran-3-yl]carbazole;N,N-diethylethanamine;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide
CID 161603530
sodium;(3aS,7S,7aR)-7-(3-fluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3-fluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3-fluorocarbazole;3-fluoro-9H-carbazole;(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide
CID 162063349
sodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;methane;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;thionyl dichloride;azide
CID 160766658

Frequently Asked Questions

What is the IUPAC name of sodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide?
The IUPAC name of sodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide (CID 157392661) is sodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide.
What is the SMILES notation for sodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide?
The canonical SMILES for sodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide is C1=CC(n2c3ccccc3c3ccccc32)COC1.CC1C=CCOC1.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.ClC(Cl)Cl.N[C@@H]1COCC(n2c3ccccc3c3ccccc32)[C@H]1O.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=S(=O)(N[C@@H]1COCC(n2c3ccccc3c3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1.O=S(Cl)Cl.O=S1OC2C(n3c4ccccc4c4ccccc43)COC[C@@H]2O1.O[C@@H]1C(n2c3ccccc3c3ccccc32)COC[C@@H]1O.[N-]=[N+]=N[C@@H]1COCC(n2c3ccccc3c3ccccc32)[C@H]1O.[N-]=[N+]=[N-].[Na+].[Pd].[Pd].c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of sodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide?
The InChIKey is PDRJOUWJLVWTLC-QGGGLVSZSA-N. The full InChI is InChI=1S/C24H21F3N2O5S.C17H16N4O2.C17H18N2O2.C17H15NO4S.C17H17NO3.C17H15NO.C17H14O.C12H9N.C7H7ClO2S.C6H15N.C6H10O.CHCl3.Cl2OS.N3.Na.2Pd/c25-24(26,27)34-15-9-11-16(12-10-15)35(31,32)28-19-13-33-14-22(23(19)30)29-20-7-3-1-5-17(20)18-6-2-4-8-21(18)29;18-20-19-13-9-23-10-16(17(13)22)21-14-7-3-1-5-11(14)12-6-2-4-8-15(12)21;18-13-9-21-10-16(17(13)20)19-14-7-3-1-5-11(14)12-6-2-4-8-15(12)19;19-23-21-16-10-20-9-15(17(16)22-23)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18;19-16-10-21-9-15(17(16)20)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18;1-3-9-16-14(7-1)15-8-2-4-10-17(15)18(16)13-6-5-11-19-12-13;18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3;1-6-3-2-4-7-5-6;2-1(3)4;1-4(2)3;1-3-2;;;/h1-12,19,22-23,28,30H,13-14H2;1-8,13,16-17,22H,9-10H2;1-8,13,16-17,20H,9-10,18H2;1-8,15-17H,9-10H2;1-8,15-17,19-20H,9-10H2;1-10,13H,11-12H2;1-14H;1-8,13H;2-5H,1H3;4-6H2,1-3H3;2-3,6H,4-5H2,1H3;1H;;;;;/q;;;;;;;;;;;;;-1;+1;;/b;;;;;;13-11+,14-12+;;;;;;;;;;/t19-,22?,23+;2*13-,16?,17+;15?,16-,17?,23?;15?,16-,17+;;;;;;;;;;;;/m11100............/s1.
What are the key properties of sodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide?
sodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide has a molecular weight of 3266.90 g/mol, XLogP of 30.85, 19 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(3aS)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R)-3-azido-5-carbazol-9-yloxan-4-ol;9H-carbazole;N-[(3R,4R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;(3S,4R)-5-carbazol-9-yloxane-3,4-diol;chloroform;N,N-diethylethanamine;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;4-methylbenzenesulfonyl chloride;3-methyl-3,6-dihydro-2H-pyran;bis(palladium);thionyl dichloride;azide is sourced from PubChem (CID 157392661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).