(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

C160H175Br4N13O13 — CID 160859265

IUPAC(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
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3.CCOC(=O)CCCCCn1c2c(c3cc(-c4ccc(N(C)C)cc4)ccc31)CCCC2.CCOC(=O)CCCCCn1c2c(c3cc(Br)ccc31)CCCC2.CN(C)c1ccc(-c2ccc3c(c2)c2c(n3CCCCCC(=O)NO)CCCC2)cc1.COC(=O)c1ccc(CBr)cc1.COC(=O)c1ccc(Cn2c3ccccc3c3ccccc32)cc1.NNc1ccc(Br)cc1.O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)cc1.O=C1CCCCC1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C28H36N2O2.C26H33N3O2.C21H17NO2.C20H26BrNO2.C20H16N2O2.C12H12BrN.C12H9N.C9H9BrO2.C6H7BrN2.C6H10O/c1-4-32-28(31)12-6-5-9-19-30-26-11-8-7-10-24(26)25-20-22(15-18-27(25)30)21-13-16-23(17-14-21)29(2)3;1-28(2)21-14-11-19(12-15-21)20-13-16-25-23(18-20)22-8-5-6-9-24(22)29(25)17-7-3-4-10-26(30)27-31;1-24-21(23)16-12-10-15(11-13-16)14-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22;1-2-24-20(23)10-4-3-7-13-22-18-9-6-5-8-16(18)17-14-15(21)11-12-19(17)22;23-20(21-24)15-11-9-14(10-12-15)13-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-12-9(11)8-4-2-7(6-10)3-5-8;7-5-1-3-6(9-8)4-2-5;7-6-4-2-1-3-5-6/h13-18,20H,4-12,19H2,1-3H3;11-16,18,31H,3-10,17H2,1-2H3,(H,27,30);2-13H,14H2,1H3;11-12,14H,2-10,13H2,1H3;1-12,24H,13H2,(H,21,23);5-7,14H,1-4H2;1-8,13H;2-5H,6H2,1H3;1-4,9H,8H2;1-5H2
InChIKeySKGOXDYUIWCLRU-UHFFFAOYSA-N
MW2807.85 g/mol
LogP38.45
Rot. Bonds33

About (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

(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 (PubChem CID 160859265) has the molecular formula C160H175Br4N13O13 and a molecular weight of 2807.85 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160859265
Molecular FormulaC160H175Br4N13O13
Molecular Weight2807.85 g/mol
Exact Mass2802.02
IUPAC Name(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
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3.CCOC(=O)CCCCCn1c2c(c3cc(-c4ccc(N(C)C)cc4)ccc31)CCCC2.CCOC(=O)CCCCCn1c2c(c3cc(Br)ccc31)CCCC2.CN(C)c1ccc(-c2ccc3c(c2)c2c(n3CCCCCC(=O)NO)CCCC2)cc1.COC(=O)c1ccc(CBr)cc1.COC(=O)c1ccc(Cn2c3ccccc3c3ccccc32)cc1.NNc1ccc(Br)cc1.O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)cc1.O=C1CCCCC1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C28H36N2O2.C26H33N3O2.C21H17NO2.C20H26BrNO2.C20H16N2O2.C12H12BrN.C12H9N.C9H9BrO2.C6H7BrN2.C6H10O/c1-4-32-28(31)12-6-5-9-19-30-26-11-8-7-10-24(26)25-20-22(15-18-27(25)30)21-13-16-23(17-14-21)29(2)3;1-28(2)21-14-11-19(12-15-21)20-13-16-25-23(18-20)22-8-5-6-9-24(22)29(25)17-7-3-4-10-26(30)27-31;1-24-21(23)16-12-10-15(11-13-16)14-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22;1-2-24-20(23)10-4-3-7-13-22-18-9-6-5-8-16(18)17-14-15(21)11-12-19(17)22;23-20(21-24)15-11-9-14(10-12-15)13-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-12-9(11)8-4-2-7(6-10)3-5-8;7-5-1-3-6(9-8)4-2-5;7-6-4-2-1-3-5-6/h13-18,20H,4-12,19H2,1-3H3;11-16,18,31H,3-10,17H2,1-2H3,(H,27,30);2-13H,14H2,1H3;11-12,14H,2-10,13H2,1H3;1-12,24H,13H2,(H,21,23);5-7,14H,1-4H2;1-8,13H;2-5H,6H2,1H3;1-4,9H,8H2;1-5H2
InChIKeySKGOXDYUIWCLRU-UHFFFAOYSA-N
XLogP38.45
TPSA321.69 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms190
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002807.85
LogP ≤ 538.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Brc1ccc2[nH]c3c(c2c1)CCCC3.CCOC(=O)CCCCCn1c2c(c3cc(-c4ccc(N(C)C)cc4)ccc31)CCCC2.CCOC(=O)CCCCCn1c2c(c3cc(Br)ccc31)CCCC2.CN(C)c1ccc(-c2ccc3c(c2)c2c(n3CCCCCC(=O)NO)CCCC2)cc1.COC(=O)c1ccc(CBr)cc1.COC(=O)c1ccc(Cn2c3ccccc3c3ccccc32)cc1.NNc1ccc(Br)cc1.O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)cc1.O=C1CCCCC1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of (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?
The InChIKey is SKGOXDYUIWCLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2.C26H33N3O2.C21H17NO2.C20H26BrNO2.C20H16N2O2.C12H12BrN.C12H9N.C9H9BrO2.C6H7BrN2.C6H10O/c1-4-32-28(31)12-6-5-9-19-30-26-11-8-7-10-24(26)25-20-22(15-18-27(25)30)21-13-16-23(17-14-21)29(2)3;1-28(2)21-14-11-19(12-15-21)20-13-16-25-23(18-20)22-8-5-6-9-24(22)29(25)17-7-3-4-10-26(30)27-31;1-24-21(23)16-12-10-15(11-13-16)14-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22;1-2-24-20(23)10-4-3-7-13-22-18-9-6-5-8-16(18)17-14-15(21)11-12-19(17)22;23-20(21-24)15-11-9-14(10-12-15)13-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-12-9(11)8-4-2-7(6-10)3-5-8;7-5-1-3-6(9-8)4-2-5;7-6-4-2-1-3-5-6/h13-18,20H,4-12,19H2,1-3H3;11-16,18,31H,3-10,17H2,1-2H3,(H,27,30);2-13H,14H2,1H3;11-12,14H,2-10,13H2,1H3;1-12,24H,13H2,(H,21,23);5-7,14H,1-4H2;1-8,13H;2-5H,6H2,1H3;1-4,9H,8H2;1-5H2.
What are the key properties of (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?
(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 has a molecular weight of 2807.85 g/mol, XLogP of 38.45, 33 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160859265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).