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

C71H84N6O11 — CID 160934416

IUPACtert-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
SMILESCC(C)(C)OC(=O)N1CC=C[C@H](n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H](n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)OC1C=CCN(C(=O)OC(C)(C)C)C1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C22H26N2O4.C22H24N2O2.C15H25NO5.C12H9N/c1-22(2,3)28-21(27)23-12-18(20(26)19(25)13-23)24-16-10-6-4-8-14(16)15-9-5-7-11-17(15)24;1-22(2,3)26-21(25)23-14-8-9-16(15-23)24-19-12-6-4-10-17(19)18-11-5-7-13-20(18)24;1-14(2,3)20-12(17)16-9-7-8-11(10-16)19-13(18)21-15(4,5)6;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h4-11,18-20,25-26H,12-13H2,1-3H3;4-13,16H,14-15H2,1-3H3;7-8,11H,9-10H2,1-6H3;1-8,13H/t18-,19-,20+;16-;;/m10../s1
InChIKeySTRNFIBZUNXZRF-LACDBJDYSA-N
MW1197.48 g/mol
LogP14.89
Rot. Bonds3

About 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

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 (PubChem CID 160934416) has the molecular formula C71H84N6O11 and a molecular weight of 1197.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID160934416
Molecular FormulaC71H84N6O11
Molecular Weight1197.48 g/mol
Exact Mass1196.62
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)N1CC=C[C@H](n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H](n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)OC1C=CCN(C(=O)OC(C)(C)C)C1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C22H26N2O4.C22H24N2O2.C15H25NO5.C12H9N/c1-22(2,3)28-21(27)23-12-18(20(26)19(25)13-23)24-16-10-6-4-8-14(16)15-9-5-7-11-17(15)24;1-22(2,3)26-21(25)23-14-8-9-16(15-23)24-19-12-6-4-10-17(19)18-11-5-7-13-20(18)24;1-14(2,3)20-12(17)16-9-7-8-11(10-16)19-13(18)21-15(4,5)6;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h4-11,18-20,25-26H,12-13H2,1-3H3;4-13,16H,14-15H2,1-3H3;7-8,11H,9-10H2,1-6H3;1-8,13H/t18-,19-,20+;16-;;/m10../s1
InChIKeySTRNFIBZUNXZRF-LACDBJDYSA-N
XLogP14.89
TPSA190.26 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds3
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001197.48
LogP ≤ 514.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

benzyl 2-[[6-fluoro-2-[6-fluoro-3-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]methyl]-1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]indol-2-yl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate
CID 66813294
benzyl (2S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]methyl]-1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]indol-2-yl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate
CID 67989651
tert-butyl (2R)-4-[(2R,4R)-5-[(2R)-1-(3,6-difluorocarbazol-9-yl)-3-(3-fluorocarbazol-9-yl)propan-2-yl]oxy-4-hydroxy-2-methylpentyl]-2-(hydroxymethyl)piperazine-1-carboxylate
CID 175034292
Tert-butyl 3-[1-(3,6-diphenylcarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylate
CID 90903699
tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157189033
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,4R,5S)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5S)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide
CID 158009229
sodium;tert-butyl (3aR,7R,7aS)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide
CID 158009230
sodium;tert-butyl 3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;tert-butyl (7S)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;thionyl dichloride;azide
CID 158009231
tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol
CID 158079596
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
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
tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-dimethylcarbazole;3,6-dimethyl-9H-carbazole;(3S,4R,5S)-5-(3,6-dimethylcarbazol-9-yl)oxane-3,4-diol
CID 158707253

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CC=C[C@H](n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H](n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)OC1C=CCN(C(=O)OC(C)(C)C)C1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 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?
The InChIKey is STRNFIBZUNXZRF-LACDBJDYSA-N. The full InChI is InChI=1S/C22H26N2O4.C22H24N2O2.C15H25NO5.C12H9N/c1-22(2,3)28-21(27)23-12-18(20(26)19(25)13-23)24-16-10-6-4-8-14(16)15-9-5-7-11-17(15)24;1-22(2,3)26-21(25)23-14-8-9-16(15-23)24-19-12-6-4-10-17(19)18-11-5-7-13-20(18)24;1-14(2,3)20-12(17)16-9-7-8-11(10-16)19-13(18)21-15(4,5)6;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h4-11,18-20,25-26H,12-13H2,1-3H3;4-13,16H,14-15H2,1-3H3;7-8,11H,9-10H2,1-6H3;1-8,13H/t18-,19-,20+;16-;;/m10../s1.
What are the key properties of 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?
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 has a molecular weight of 1197.48 g/mol, XLogP of 14.89, 3 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160934416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).