6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride

C105H109Br6ClN8O11 — CID 160560405

IUPAC6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride
SMILESC.COC1CCc2c(c3cc(Br)ccc3n2C)C1.Cl.Cn1c2c(c3cc(Br)ccc31)CC(O)CC2.Cn1c2c(c3cc(Br)ccc31)CC(OC(=O)c1ccccc1)CC2.NNc1ccc(Br)cc1.O=C(OC1CCC(=NNc2ccc(Br)cc2)CC1)c1ccccc1.O=C(OC1CCc2[nH]c3ccc(Br)cc3c2C1)c1ccccc1.O=C1CCC(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C20H18BrNO2.C19H19BrN2O2.C19H16BrNO2.C14H16BrNO.C13H14BrNO.C13H14O3.C6H7BrN2.CH4.ClH/c1-22-18-9-7-14(21)11-16(18)17-12-15(8-10-19(17)22)24-20(23)13-5-3-2-4-6-13;20-15-6-8-16(9-7-15)21-22-17-10-12-18(13-11-17)24-19(23)14-4-2-1-3-5-14;20-13-6-8-17-15(10-13)16-11-14(7-9-18(16)21-17)23-19(22)12-4-2-1-3-5-12;1-16-13-5-3-9(15)7-11(13)12-8-10(17-2)4-6-14(12)16;1-15-12-4-2-8(14)6-10(12)11-7-9(16)3-5-13(11)15;14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10;7-5-1-3-6(9-8)4-2-5;;/h2-7,9,11,15H,8,10,12H2,1H3;1-9,18,21H,10-13H2;1-6,8,10,14,21H,7,9,11H2;3,5,7,10H,4,6,8H2,1-2H3;2,4,6,9,16H,3,5,7H2,1H3;1-5,12H,6-9H2;1-4,9H,8H2;1H4;1H/b;22-17-;;;;;;;
InChIKeyVJLZOXNQNRCTJV-AABVNKAESA-N
MW2173.95 g/mol
LogP25.70
Rot. Bonds12

About 6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride

6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride (PubChem CID 160560405) has the molecular formula C105H109Br6ClN8O11 and a molecular weight of 2173.95 g/mol. Its IUPAC name is 6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride.

Molecular Properties

Compound Name6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride
PubChem CID160560405
Molecular FormulaC105H109Br6ClN8O11
Molecular Weight2173.95 g/mol
Exact Mass2166.30
IUPAC Name6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride
SMILESC.COC1CCc2c(c3cc(Br)ccc3n2C)C1.Cl.Cn1c2c(c3cc(Br)ccc31)CC(O)CC2.Cn1c2c(c3cc(Br)ccc31)CC(OC(=O)c1ccccc1)CC2.NNc1ccc(Br)cc1.O=C(OC1CCC(=NNc2ccc(Br)cc2)CC1)c1ccccc1.O=C(OC1CCc2[nH]c3ccc(Br)cc3c2C1)c1ccccc1.O=C1CCC(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C20H18BrNO2.C19H19BrN2O2.C19H16BrNO2.C14H16BrNO.C13H14BrNO.C13H14O3.C6H7BrN2.CH4.ClH/c1-22-18-9-7-14(21)11-16(18)17-12-15(8-10-19(17)22)24-20(23)13-5-3-2-4-6-13;20-15-6-8-16(9-7-15)21-22-17-10-12-18(13-11-17)24-19(23)14-4-2-1-3-5-14;20-13-6-8-17-15(10-13)16-11-14(7-9-18(16)21-17)23-19(22)12-4-2-1-3-5-12;1-16-13-5-3-9(15)7-11(13)12-8-10(17-2)4-6-14(12)16;1-15-12-4-2-8(14)6-10(12)11-7-9(16)3-5-13(11)15;14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10;7-5-1-3-6(9-8)4-2-5;;/h2-7,9,11,15H,8,10,12H2,1H3;1-9,18,21H,10-13H2;1-6,8,10,14,21H,7,9,11H2;3,5,7,10H,4,6,8H2,1-2H3;2,4,6,9,16H,3,5,7H2,1H3;1-5,12H,6-9H2;1-4,9H,8H2;1H4;1H/b;22-17-;;;;;;;
InChIKeyVJLZOXNQNRCTJV-AABVNKAESA-N
XLogP25.70
TPSA244.75 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002173.95
LogP ≤ 525.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(3-bromophenyl)hydrazine;[4-[(3-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(5-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;(7-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride
CID 157346916
6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;(4-oxocyclohexyl) benzoate;hydrochloride
CID 160179295
9-benzyl-3-bromocarbazole;9-benzylcarbazole-3-carbohydrazide;9-benzylcarbazole-3-carboxylic acid;3-bromo-9H-carbazole
CID 160536867
7-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(3-bromophenyl)hydrazine;[4-[(3-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(5-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;(7-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;(4-oxocyclohexyl) benzoate;hydrochloride
CID 160694545
(4-bromophenyl)hydrazine;6-bromo-2,3,4,9-tetrahydro-1H-carbazole;9H-carbazole;4-(carbazol-9-ylmethyl)-N-hydroxybenzamide;cyclohexanone;6-[6-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydrocarbazol-9-yl]-N-hydroxyhexanamide;ethyl 6-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)hexanoate;ethyl 6-[6-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydrocarbazol-9-yl]hexanoate;methyl 4-(bromomethyl)benzoate;methyl 4-(carbazol-9-ylmethyl)benzoate
CID 160859265

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride?
The IUPAC name of 6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride (CID 160560405) is 6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride.
What is the SMILES notation for 6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride?
The canonical SMILES for 6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride is C.COC1CCc2c(c3cc(Br)ccc3n2C)C1.Cl.Cn1c2c(c3cc(Br)ccc31)CC(O)CC2.Cn1c2c(c3cc(Br)ccc31)CC(OC(=O)c1ccccc1)CC2.NNc1ccc(Br)cc1.O=C(OC1CCC(=NNc2ccc(Br)cc2)CC1)c1ccccc1.O=C(OC1CCc2[nH]c3ccc(Br)cc3c2C1)c1ccccc1.O=C1CCC(OC(=O)c2ccccc2)CC1.
What is the InChIKey of 6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride?
The InChIKey is VJLZOXNQNRCTJV-AABVNKAESA-N. The full InChI is InChI=1S/C20H18BrNO2.C19H19BrN2O2.C19H16BrNO2.C14H16BrNO.C13H14BrNO.C13H14O3.C6H7BrN2.CH4.ClH/c1-22-18-9-7-14(21)11-16(18)17-12-15(8-10-19(17)22)24-20(23)13-5-3-2-4-6-13;20-15-6-8-16(9-7-15)21-22-17-10-12-18(13-11-17)24-19(23)14-4-2-1-3-5-14;20-13-6-8-17-15(10-13)16-11-14(7-9-18(16)21-17)23-19(22)12-4-2-1-3-5-12;1-16-13-5-3-9(15)7-11(13)12-8-10(17-2)4-6-14(12)16;1-15-12-4-2-8(14)6-10(12)11-7-9(16)3-5-13(11)15;14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10;7-5-1-3-6(9-8)4-2-5;;/h2-7,9,11,15H,8,10,12H2,1H3;1-9,18,21H,10-13H2;1-6,8,10,14,21H,7,9,11H2;3,5,7,10H,4,6,8H2,1-2H3;2,4,6,9,16H,3,5,7H2,1H3;1-5,12H,6-9H2;1-4,9H,8H2;1H4;1H/b;22-17-;;;;;;;.
What are the key properties of 6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride?
6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride has a molecular weight of 2173.95 g/mol, XLogP of 25.70, 12 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(4-bromophenyl)hydrazine;[4-[(4-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride is sourced from PubChem (CID 160560405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).