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

C67H71Cl6N5O9 — CID 158269059

IUPACtert-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
SMILESCC(C)(C)OC(=O)N1CC=C[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
InChIInChI=1S/C22H24Cl2N2O4.C22H22Cl2N2O2.C12H7Cl2N.C11H18O3/c1-22(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/h4-9,18-20,27-28H,10-11H2,1-3H3;4-9,11-12,16H,10,13H2,1-3H3;1-6,15H;5,7,9H,4,6,8H2,1-3H3/t18-,19-,20+;16-;;/m01../s1
InChIKeyGIUPMYCEYUXFMT-UCKTXKDCSA-N
MW1303.05 g/mol
LogP18.74
Rot. Bonds3

About 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

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 (PubChem CID 158269059) has the molecular formula C67H71Cl6N5O9 and a molecular weight of 1303.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID158269059
Molecular FormulaC67H71Cl6N5O9
Molecular Weight1303.05 g/mol
Exact Mass1299.34
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)N1CC=C[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
InChIInChI=1S/C22H24Cl2N2O4.C22H22Cl2N2O2.C12H7Cl2N.C11H18O3/c1-22(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/h4-9,18-20,27-28H,10-11H2,1-3H3;4-9,11-12,16H,10,13H2,1-3H3;1-6,15H;5,7,9H,4,6,8H2,1-3H3/t18-,19-,20+;16-;;/m01../s1
InChIKeyGIUPMYCEYUXFMT-UCKTXKDCSA-N
XLogP18.74
TPSA160.72 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.05
LogP ≤ 518.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

tert-butyl (3S,4S)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;3-chloro-6-fluoro-9H-carbazole
CID 90281137
tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole
CID 145255559
tert-butyl cyclohept-2-en-1-yl carbonate;9H-carbazole;cis-(1R,2S)-3-carbazol-9-ylcycloheptane-1,2-diol;cyclohept-2-en-1-ol;9-cyclohept-2-en-1-ylcarbazole
CID 158367535
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 (3R,4R,5S)-3-azido-5-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-dichlorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide
CID 159446603
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
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;tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3,6-dihydro-2H-pyridine-1-carboxylate;3,6-dichloro-9H-carbazole
CID 159762450
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
CID 159970441
tert-butyl cyclohex-2-en-1-yl carbonate;tert-butyl (3R)-3-(3,6-difluorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-difluorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;3,6-difluoro-9H-carbazole
CID 160150058
tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]carbazole
CID 160264403
tert-butyl (3R)-3-(3,6-difluorocarbazol-9-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4R,5S)-3-(3,6-difluorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3,6-dihydro-2H-pyridine-1-carboxylate;3,6-difluoro-9H-carbazole
CID 160669185
tert-butyl cyclohept-2-en-1-yl carbonate;9H-carbazole;(1S,2R,3S)-3-carbazol-9-ylcycloheptane-1,2-diol;9-[(1S)-cyclohept-2-en-1-yl]carbazole
CID 160900732
tert-butyl (3S)-3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3,6-dihydro-2H-pyridine-1-carboxylate;9H-carbazole
CID 160934416

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 158269059) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CC=C[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.
What is the InChIKey of 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?
The InChIKey is GIUPMYCEYUXFMT-UCKTXKDCSA-N. The full InChI is InChI=1S/C22H24Cl2N2O4.C22H22Cl2N2O2.C12H7Cl2N.C11H18O3/c1-22(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/h4-9,18-20,27-28H,10-11H2,1-3H3;4-9,11-12,16H,10,13H2,1-3H3;1-6,15H;5,7,9H,4,6,8H2,1-3H3/t18-,19-,20+;16-;;/m01../s1.
What are the key properties of 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?
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 has a molecular weight of 1303.05 g/mol, XLogP of 18.74, 3 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158269059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).