sodium;1-(2-bromophenyl)ethanone;13-cyclohexyl-10-methoxycarbonyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;dimethyl 13-cyclohexyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate;methyl 2-(2-acetylphenyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 13-cyclohexyl-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 3-cyclohexyl-2-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methyl 2-dimethoxyphosphorylprop-2-enoate;hydroxide

C146H163BBrN6NaO26P+ — CID 158918552

About sodium;1-(2-bromophenyl)ethanone;13-cyclohexyl-10-methoxycarbonyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;dimethyl 13-cyclohexyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate;methyl 2-(2-acetylphenyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 13-cyclohexyl-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 3-cyclohexyl-2-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methyl 2-dimethoxyphosphorylprop-2-enoate;hydroxide

sodium;1-(2-bromophenyl)ethanone;13-cyclohexyl-10-methoxycarbonyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;dimethyl 13-cyclohexyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate;methyl 2-(2-acetylphenyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 13-cyclohexyl-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 3-cyclohexyl-2-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methyl 2-dimethoxyphosphorylprop-2-enoate;hydroxide (PubChem CID 158918552) has the molecular formula C146H163BBrN6NaO26P+ and a molecular weight of 2562.61 g/mol. Its IUPAC name is sodium;1-(2-bromophenyl)ethanone;13-cyclohexyl-10-methoxycarbonyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;dimethyl 13-cyclohexyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate;methyl 2-(2-acetylphenyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 13-cyclohexyl-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 3-cyclohexyl-2-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methyl 2-dimethoxyphosphorylprop-2-enoate;hydroxide.

Molecular Properties

• Compound Name: sodium;1-(2-bromophenyl)ethanone;13-cyclohexyl-10-methoxycarbonyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;dimethyl 13-cyclohexyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate;methyl 2-(2-acetylphenyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 13-cyclohexyl-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 3-cyclohexyl-2-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methyl 2-dimethoxyphosphorylprop-2-enoate;hydroxide
• PubChem CID: 158918552
• Molecular Formula: C146H163BBrN6NaO26P+
• Molecular Weight: 2562.61 g/mol
• Exact Mass: 2560.05
• IUPAC Name: sodium;1-(2-bromophenyl)ethanone;13-cyclohexyl-10-methoxycarbonyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;dimethyl 13-cyclohexyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate;methyl 2-(2-acetylphenyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 13-cyclohexyl-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 3-cyclohexyl-2-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methyl 2-dimethoxyphosphorylprop-2-enoate;hydroxide
• SMILES: C=C(C(=O)OC)P(=O)(OC)OC.CC(=O)c1ccccc1Br.COC(=O)C1=C(C)c2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)OC)cc3n2C1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3C(C)=O)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=C(C)c1ccccc1-3.COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)O)=C(C)c1ccccc1-3.[CH2+]C1(C)OB(c2[nH]c3cc(C(=O)OC)ccc3c2C2CCCCC2)OC1(C)C.[Na+].[OH-]
• InChI: InChI=1S/C31H34N2O4.C28H29NO4.C27H27NO4.C24H25NO3.C22H28BNO4.C8H7BrO.C6H11O5P.Na.H2O/c1-20-23-10-6-7-11-24(23)29-28(21-8-4-3-5-9-21)25-13-12-22(31(35)36-2)18-27(25)33(29)19-26(20)30(34)32-14-16-37-17-15-32;1-17-20-11-7-8-12-21(20)26-25(18-9-5-4-6-10-18)22-14-13-19(27(30)32-2)15-24(22)29(26)16-23(17)28(31)33-3;1-16-19-10-6-7-11-20(19)25-24(17-8-4-3-5-9-17)21-13-12-18(27(31)32-2)14-23(21)28(25)15-22(16)26(29)30;1-15(26)18-10-6-7-11-19(18)23-22(16-8-4-3-5-9-16)20-13-12-17(24(27)28-2)14-21(20)25-23;1-21(2)22(3,4)28-23(27-21)19-18(14-9-7-6-8-10-14)16-12-11-15(20(25)26-5)13-17(16)24-19;1-6(10)7-4-2-3-5-8(7)9;1-5(6(7)9-2)12(8,10-3)11-4;;/h6-7,10-13,18,21H,3-5,8-9,14-17,19H2,1-2H3;7-8,11-15,18H,4-6,9-10,16H2,1-3H3;6-7,10-14,17H,3-5,8-9,15H2,1-2H3,(H,29,30);6-7,10-14,16,25H,3-5,8-9H2,1-2H3;11-14H,1,6-10H2,2-5H3;2-5H,1H3;1H2,2-4H3;;1H2/q;;;;;;;+1
• InChIKey: JHNTVCZQSPBDJD-UHFFFAOYSA-N
• XLogP: 28.53
• TPSA: 415.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2562.61
LogP ≤ 5	28.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;1-(2-bromophenyl)ethanone;13-cyclohexyl-10-methoxycarbonyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;dimethyl 13-cyclohexyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate;methyl 2-(2-acetylphenyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 13-cyclohexyl-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 3-cyclohexyl-2-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methyl 2-dimethoxyphosphorylprop-2-enoate;hydroxide?

The IUPAC name of sodium;1-(2-bromophenyl)ethanone;13-cyclohexyl-10-methoxycarbonyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;dimethyl 13-cyclohexyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate;methyl 2-(2-acetylphenyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 13-cyclohexyl-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 3-cyclohexyl-2-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methyl 2-dimethoxyphosphorylprop-2-enoate;hydroxide (CID 158918552) is sodium;1-(2-bromophenyl)ethanone;13-cyclohexyl-10-methoxycarbonyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;dimethyl 13-cyclohexyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate;methyl 2-(2-acetylphenyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 13-cyclohexyl-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 3-cyclohexyl-2-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methyl 2-dimethoxyphosphorylprop-2-enoate;hydroxide.

What is the SMILES notation for sodium;1-(2-bromophenyl)ethanone;13-cyclohexyl-10-methoxycarbonyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;dimethyl 13-cyclohexyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate;methyl 2-(2-acetylphenyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 13-cyclohexyl-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 3-cyclohexyl-2-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methyl 2-dimethoxyphosphorylprop-2-enoate;hydroxide?

The canonical SMILES for sodium;1-(2-bromophenyl)ethanone;13-cyclohexyl-10-methoxycarbonyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;dimethyl 13-cyclohexyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate;methyl 2-(2-acetylphenyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 13-cyclohexyl-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 3-cyclohexyl-2-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methyl 2-dimethoxyphosphorylprop-2-enoate;hydroxide is C=C(C(=O)OC)P(=O)(OC)OC.CC(=O)c1ccccc1Br.COC(=O)C1=C(C)c2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)OC)cc3n2C1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3C(C)=O)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=C(C)c1ccccc1-3.COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)O)=C(C)c1ccccc1-3.[CH2+]C1(C)OB(c2[nH]c3cc(C(=O)OC)ccc3c2C2CCCCC2)OC1(C)C.[Na+].[OH-].

What is the InChIKey of sodium;1-(2-bromophenyl)ethanone;13-cyclohexyl-10-methoxycarbonyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;dimethyl 13-cyclohexyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate;methyl 2-(2-acetylphenyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 13-cyclohexyl-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 3-cyclohexyl-2-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methyl 2-dimethoxyphosphorylprop-2-enoate;hydroxide?

The InChIKey is JHNTVCZQSPBDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O4.C28H29NO4.C27H27NO4.C24H25NO3.C22H28BNO4.C8H7BrO.C6H11O5P.Na.H2O/c1-20-23-10-6-7-11-24(23)29-28(21-8-4-3-5-9-21)25-13-12-22(31(35)36-2)18-27(25)33(29)19-26(20)30(34)32-14-16-37-17-15-32;1-17-20-11-7-8-12-21(20)26-25(18-9-5-4-6-10-18)22-14-13-19(27(30)32-2)15-24(22)29(26)16-23(17)28(31)33-3;1-16-19-10-6-7-11-20(19)25-24(17-8-4-3-5-9-17)21-13-12-18(27(31)32-2)14-23(21)28(25)15-22(16)26(29)30;1-15(26)18-10-6-7-11-19(18)23-22(16-8-4-3-5-9-16)20-13-12-17(24(27)28-2)14-21(20)25-23;1-21(2)22(3,4)28-23(27-21)19-18(14-9-7-6-8-10-14)16-12-11-15(20(25)26-5)13-17(16)24-19;1-6(10)7-4-2-3-5-8(7)9;1-5(6(7)9-2)12(8,10-3)11-4;;/h6-7,10-13,18,21H,3-5,8-9,14-17,19H2,1-2H3;7-8,11-15,18H,4-6,9-10,16H2,1-3H3;6-7,10-14,17H,3-5,8-9,15H2,1-2H3,(H,29,30);6-7,10-14,16,25H,3-5,8-9H2,1-2H3;11-14H,1,6-10H2,2-5H3;2-5H,1H3;1H2,2-4H3;;1H2/q;;;;;;;+1;.

What are the key properties of sodium;1-(2-bromophenyl)ethanone;13-cyclohexyl-10-methoxycarbonyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;dimethyl 13-cyclohexyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate;methyl 2-(2-acetylphenyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 13-cyclohexyl-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 3-cyclohexyl-2-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methyl 2-dimethoxyphosphorylprop-2-enoate;hydroxide?

sodium;1-(2-bromophenyl)ethanone;13-cyclohexyl-10-methoxycarbonyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;dimethyl 13-cyclohexyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate;methyl 2-(2-acetylphenyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 13-cyclohexyl-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 3-cyclohexyl-2-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methyl 2-dimethoxyphosphorylprop-2-enoate;hydroxide has a molecular weight of 2562.61 g/mol, XLogP of 28.53, 21 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-(2-bromophenyl)ethanone;13-cyclohexyl-10-methoxycarbonyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;dimethyl 13-cyclohexyl-5-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate;methyl 2-(2-acetylphenyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 13-cyclohexyl-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 3-cyclohexyl-2-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methyl 2-dimethoxyphosphorylprop-2-enoate;hydroxide is sourced from PubChem (CID 158918552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).