sodium;tert-butyl (3aS,7S,7aR)-7-(3,6-dichlorocarbazol-9-yl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;tert-butyl (3R)-3-(3,6-dichlorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-dichlorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole;thionyl dichloride;azide

C89H93Cl10N10NaO15S2 — CID 159649423

About sodium;tert-butyl (3aS,7S,7aR)-7-(3,6-dichlorocarbazol-9-yl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;tert-butyl (3R)-3-(3,6-dichlorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-dichlorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole;thionyl dichloride;azide

sodium;tert-butyl (3aS,7S,7aR)-7-(3,6-dichlorocarbazol-9-yl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;tert-butyl (3R)-3-(3,6-dichlorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-dichlorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole;thionyl dichloride;azide (PubChem CID 159649423) has the molecular formula C89H93Cl10N10NaO15S2 and a molecular weight of 1984.43 g/mol. Its IUPAC name is sodium;tert-butyl (3aS,7S,7aR)-7-(3,6-dichlorocarbazol-9-yl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;tert-butyl (3R)-3-(3,6-dichlorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-dichlorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole;thionyl dichloride;azide.

Molecular Properties

• Compound Name: sodium;tert-butyl (3aS,7S,7aR)-7-(3,6-dichlorocarbazol-9-yl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;tert-butyl (3R)-3-(3,6-dichlorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-dichlorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole;thionyl dichloride;azide
• PubChem CID: 159649423
• Molecular Formula: C89H93Cl10N10NaO15S2
• Molecular Weight: 1984.43 g/mol
• Exact Mass: 1978.30
• IUPAC Name: sodium;tert-butyl (3aS,7S,7aR)-7-(3,6-dichlorocarbazol-9-yl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;tert-butyl (3R)-3-(3,6-dichlorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-dichlorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole;thionyl dichloride;azide
• SMILES: CC(C)(C)OC(=O)N1CC=C[C@@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1.CC(C)(C)OC(=O)N1C[C@@H]2OS(=O)O[C@@H]2[C@@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1.CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1.CC(C)(C)OC(=O)OC1C=CCCC1.Clc1ccc2[nH]c3ccc(Cl)cc3c2c1.O=S(Cl)Cl.[N-]=[N+]=[N-].[Na+]
• InChI: InChI=1S/C22H22Cl2N2O5S.C22H24Cl2N2O4.C22H22Cl2N2O2.C12H7Cl2N.C11H18O3.Cl2OS.N3.Na/c1-22(2,3)29-21(27)25-10-18(20-19(11-25)30-32(28)31-20)26-16-6-4-12(23)8-14(16)15-9-13(24)5-7-17(15)26;1-22(2,3)30-21(29)25-10-18(20(28)19(27)11-25)26-16-6-4-12(23)8-14(16)15-9-13(24)5-7-17(15)26;1-22(2,3)28-21(27)25-10-4-5-16(13-25)26-19-8-6-14(23)11-17(19)18-12-15(24)7-9-20(18)26;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;1-11(2,3)14-10(12)13-9-7-5-4-6-8-9;1-4(2)3;1-3-2;/h4-9,18-20H,10-11H2,1-3H3;4-9,18-20,27-28H,10-11H2,1-3H3;4-9,11-12,16H,10,13H2,1-3H3;1-6,15H;5,7,9H,4,6,8H2,1-3H3;;;/q;;;;;;-1;+1/t18-,19-,20+,32?;18-,19-,20+;16-;;;;;/m001...../s1
• InChIKey: RFKLXFSKCLSRBJ-MYUIZKJMSA-N
• XLogP: 22.91
• TPSA: 306.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 4
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1984.43
LogP ≤ 5	22.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl (3aS,7S,7aR)-7-(3,6-dichlorocarbazol-9-yl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;tert-butyl (3R)-3-(3,6-dichlorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-dichlorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole;thionyl dichloride;azide?

The IUPAC name of sodium;tert-butyl (3aS,7S,7aR)-7-(3,6-dichlorocarbazol-9-yl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;tert-butyl (3R)-3-(3,6-dichlorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-dichlorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole;thionyl dichloride;azide (CID 159649423) is sodium;tert-butyl (3aS,7S,7aR)-7-(3,6-dichlorocarbazol-9-yl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;tert-butyl (3R)-3-(3,6-dichlorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-dichlorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole;thionyl dichloride;azide.

What is the SMILES notation for sodium;tert-butyl (3aS,7S,7aR)-7-(3,6-dichlorocarbazol-9-yl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;tert-butyl (3R)-3-(3,6-dichlorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-dichlorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole;thionyl dichloride;azide?

The canonical SMILES for sodium;tert-butyl (3aS,7S,7aR)-7-(3,6-dichlorocarbazol-9-yl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;tert-butyl (3R)-3-(3,6-dichlorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-dichlorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole;thionyl dichloride;azide is CC(C)(C)OC(=O)N1CC=C[C@@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1.CC(C)(C)OC(=O)N1C[C@@H]2OS(=O)O[C@@H]2[C@@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1.CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1.CC(C)(C)OC(=O)OC1C=CCCC1.Clc1ccc2[nH]c3ccc(Cl)cc3c2c1.O=S(Cl)Cl.[N-]=[N+]=[N-].[Na+].

What is the InChIKey of sodium;tert-butyl (3aS,7S,7aR)-7-(3,6-dichlorocarbazol-9-yl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;tert-butyl (3R)-3-(3,6-dichlorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-dichlorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole;thionyl dichloride;azide?

The InChIKey is RFKLXFSKCLSRBJ-MYUIZKJMSA-N. The full InChI is InChI=1S/C22H22Cl2N2O5S.C22H24Cl2N2O4.C22H22Cl2N2O2.C12H7Cl2N.C11H18O3.Cl2OS.N3.Na/c1-22(2,3)29-21(27)25-10-18(20-19(11-25)30-32(28)31-20)26-16-6-4-12(23)8-14(16)15-9-13(24)5-7-17(15)26;1-22(2,3)30-21(29)25-10-18(20(28)19(27)11-25)26-16-6-4-12(23)8-14(16)15-9-13(24)5-7-17(15)26;1-22(2,3)28-21(27)25-10-4-5-16(13-25)26-19-8-6-14(23)11-17(19)18-12-15(24)7-9-20(18)26;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;1-11(2,3)14-10(12)13-9-7-5-4-6-8-9;1-4(2)3;1-3-2;/h4-9,18-20H,10-11H2,1-3H3;4-9,18-20,27-28H,10-11H2,1-3H3;4-9,11-12,16H,10,13H2,1-3H3;1-6,15H;5,7,9H,4,6,8H2,1-3H3;;;/q;;;;;;-1;+1/t18-,19-,20+,32?;18-,19-,20+;16-;;;;;/m001...../s1.

What are the key properties of sodium;tert-butyl (3aS,7S,7aR)-7-(3,6-dichlorocarbazol-9-yl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;tert-butyl (3R)-3-(3,6-dichlorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-dichlorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole;thionyl dichloride;azide?

sodium;tert-butyl (3aS,7S,7aR)-7-(3,6-dichlorocarbazol-9-yl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;tert-butyl (3R)-3-(3,6-dichlorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-dichlorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole;thionyl dichloride;azide has a molecular weight of 1984.43 g/mol, XLogP of 22.91, 4 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl (3aS,7S,7aR)-7-(3,6-dichlorocarbazol-9-yl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl cyclohex-2-en-1-yl carbonate;tert-butyl (3R)-3-(3,6-dichlorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-dichlorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole;thionyl dichloride;azide is sourced from PubChem (CID 159649423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).