5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-bromo-3-chlorobenzoic acid;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;5-bromo-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4-bromo-1H-pyrazole;5-(4-bromopyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;[4-(methylcarbamoyl)phenyl]boronic acid;1,10-phenanthroline;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

C231H222B5Br8Cl3F3N35O30 — CID 163926864

About 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-bromo-3-chlorobenzoic acid;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;5-bromo-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4-bromo-1H-pyrazole;5-(4-bromopyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;[4-(methylcarbamoyl)phenyl]boronic acid;1,10-phenanthroline;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-bromo-3-chlorobenzoic acid;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;5-bromo-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4-bromo-1H-pyrazole;5-(4-bromopyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;[4-(methylcarbamoyl)phenyl]boronic acid;1,10-phenanthroline;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane (PubChem CID 163926864) has the molecular formula C231H222B5Br8Cl3F3N35O30 and a molecular weight of 4825.18 g/mol. Its IUPAC name is 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-bromo-3-chlorobenzoic acid;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;5-bromo-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4-bromo-1H-pyrazole;5-(4-bromopyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;[4-(methylcarbamoyl)phenyl]boronic acid;1,10-phenanthroline;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane.

Molecular Properties

• Compound Name: 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-bromo-3-chlorobenzoic acid;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;5-bromo-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4-bromo-1H-pyrazole;5-(4-bromopyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;[4-(methylcarbamoyl)phenyl]boronic acid;1,10-phenanthroline;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
• PubChem CID: 163926864
• Molecular Formula: C231H222B5Br8Cl3F3N35O30
• Molecular Weight: 4825.18 g/mol
• Exact Mass: 4813.99
• IUPAC Name: 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-bromo-3-chlorobenzoic acid;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;5-bromo-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4-bromo-1H-pyrazole;5-(4-bromopyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;[4-(methylcarbamoyl)phenyl]boronic acid;1,10-phenanthroline;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
• SMILES: Brc1cn[nH]c1.CB1OB(C)OB(C)O1.CC1(C)OB(Cc2ccccc2)OC1(C)C.CC1Cc2c(n3ncc(Cc4ccccc4)c3[nH]c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1.CNC(=O)c1ccc(B(O)O)cc1.COc1ccc(CN)cc1.COc1ccc(CNC(=O)c2cc(Br)ncc2F)cc1.COc1ccc(CNC(=O)c2cc(C)ncc2-n2cc(Br)cn2)cc1.COc1ccc(CNC(=O)c2cc(C)ncc2F)cc1.COc1ccc(Cn2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)C(C)C3)cc1.COc1ccc(Cn2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CNC(C)C3)cc1.COc1ccc(Cn2c(=O)c3cc(C)ncc3n3ncc(Br)c23)cc1.COc1ccc(Cn2c(=O)c3cc(C)ncc3n3ncc(Cc4ccccc4)c23)cc1.O=C(O)c1cc(Br)ncc1F.O=C(O)c1ccc(Br)c(Cl)c1.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C32H28BrClN4O3.C25H26N4O2.C25H22N4O2.C24H20BrClN4O2.C18H15BrN4O2.C18H17BrN4O2.C15H15FN2O2.C14H12BrFN2O2.C13H19BO2.C12H8N2.C8H10BNO3.C8H11NO.C7H4BrClO2.C6H3BrFNO2.C3H9B3O3.C3H3BrN2/c1-20-14-26-29(19-36(20)31(39)23-10-13-27(33)28(34)16-23)38-30(24(17-35-38)15-21-6-4-3-5-7-21)37(32(26)40)18-22-8-11-25(41-2)12-9-22;2*1-17-12-22-23(15-26-17)29-24(20(14-27-29)13-18-6-4-3-5-7-18)28(25(22)30)16-19-8-10-21(31-2)11-9-19;1-14-9-18-21(13-29(14)24(32)16-7-8-19(25)20(26)11-16)30-22(28-23(18)31)17(12-27-30)10-15-5-3-2-4-6-15;1-11-7-14-16(9-20-11)23-17(15(19)8-21-23)22(18(14)24)10-12-3-5-13(25-2)6-4-12;1-12-7-16(17(10-20-12)23-11-14(19)9-22-23)18(24)21-8-13-3-5-15(25-2)6-4-13;1-10-7-13(14(16)9-17-10)15(19)18-8-11-3-5-12(20-2)6-4-11;1-20-10-4-2-9(3-5-10)7-18-14(19)11-6-13(15)17-8-12(11)16;1-12(2)13(3,4)16-14(15-12)10-11-8-6-5-7-9-11;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-10-8(11)6-2-4-7(5-3-6)9(12)13;1-10-8-4-2-7(6-9)3-5-8;8-5-2-1-4(7(10)11)3-6(5)9;7-5-1-3(6(10)11)4(8)2-9-5;1-4-7-5(2)9-6(3)8-4;4-3-1-5-6-2-3/h3-13,16-17,20H,14-15,18-19H2,1-2H3;3-11,14,17,26H,12-13,15-16H2,1-2H3;3-12,14-15H,13,16H2,1-2H3;2-8,11-12,14H,9-10,13H2,1H3,(H,28,31);3-9H,10H2,1-2H3;3-7,9-11H,8H2,1-2H3,(H,21,24);3-7,9H,8H2,1-2H3,(H,18,19);2-6,8H,7H2,1H3,(H,18,19);5-9H,10H2,1-4H3;1-8H;2-5,12-13H,1H3,(H,10,11);2-5H,6,9H2,1H3;1-3H,(H,10,11);1-2H,(H,10,11);1-3H3;1-2H,(H,5,6)
• InChIKey: RFGHCAAQFIQWLT-UHFFFAOYSA-N
• XLogP: 41.36
• TPSA: 787.10 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 55
• Rotatable Bonds: 43
• Heavy Atoms: 315
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4825.18
LogP ≤ 5	41.36
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-bromo-3-chlorobenzoic acid;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;5-bromo-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4-bromo-1H-pyrazole;5-(4-bromopyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;[4-(methylcarbamoyl)phenyl]boronic acid;1,10-phenanthroline;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?

The IUPAC name of 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-bromo-3-chlorobenzoic acid;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;5-bromo-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4-bromo-1H-pyrazole;5-(4-bromopyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;[4-(methylcarbamoyl)phenyl]boronic acid;1,10-phenanthroline;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane (CID 163926864) is 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-bromo-3-chlorobenzoic acid;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;5-bromo-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4-bromo-1H-pyrazole;5-(4-bromopyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;[4-(methylcarbamoyl)phenyl]boronic acid;1,10-phenanthroline;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane.

What is the SMILES notation for 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-bromo-3-chlorobenzoic acid;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;5-bromo-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4-bromo-1H-pyrazole;5-(4-bromopyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;[4-(methylcarbamoyl)phenyl]boronic acid;1,10-phenanthroline;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?

The canonical SMILES for 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-bromo-3-chlorobenzoic acid;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;5-bromo-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4-bromo-1H-pyrazole;5-(4-bromopyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;[4-(methylcarbamoyl)phenyl]boronic acid;1,10-phenanthroline;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane is Brc1cn[nH]c1.CB1OB(C)OB(C)O1.CC1(C)OB(Cc2ccccc2)OC1(C)C.CC1Cc2c(n3ncc(Cc4ccccc4)c3[nH]c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1.CNC(=O)c1ccc(B(O)O)cc1.COc1ccc(CN)cc1.COc1ccc(CNC(=O)c2cc(Br)ncc2F)cc1.COc1ccc(CNC(=O)c2cc(C)ncc2-n2cc(Br)cn2)cc1.COc1ccc(CNC(=O)c2cc(C)ncc2F)cc1.COc1ccc(Cn2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)C(C)C3)cc1.COc1ccc(Cn2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CNC(C)C3)cc1.COc1ccc(Cn2c(=O)c3cc(C)ncc3n3ncc(Br)c23)cc1.COc1ccc(Cn2c(=O)c3cc(C)ncc3n3ncc(Cc4ccccc4)c23)cc1.O=C(O)c1cc(Br)ncc1F.O=C(O)c1ccc(Br)c(Cl)c1.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-bromo-3-chlorobenzoic acid;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;5-bromo-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4-bromo-1H-pyrazole;5-(4-bromopyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;[4-(methylcarbamoyl)phenyl]boronic acid;1,10-phenanthroline;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?

The InChIKey is RFGHCAAQFIQWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28BrClN4O3.C25H26N4O2.C25H22N4O2.C24H20BrClN4O2.C18H15BrN4O2.C18H17BrN4O2.C15H15FN2O2.C14H12BrFN2O2.C13H19BO2.C12H8N2.C8H10BNO3.C8H11NO.C7H4BrClO2.C6H3BrFNO2.C3H9B3O3.C3H3BrN2/c1-20-14-26-29(19-36(20)31(39)23-10-13-27(33)28(34)16-23)38-30(24(17-35-38)15-21-6-4-3-5-7-21)37(32(26)40)18-22-8-11-25(41-2)12-9-22;2*1-17-12-22-23(15-26-17)29-24(20(14-27-29)13-18-6-4-3-5-7-18)28(25(22)30)16-19-8-10-21(31-2)11-9-19;1-14-9-18-21(13-29(14)24(32)16-7-8-19(25)20(26)11-16)30-22(28-23(18)31)17(12-27-30)10-15-5-3-2-4-6-15;1-11-7-14-16(9-20-11)23-17(15(19)8-21-23)22(18(14)24)10-12-3-5-13(25-2)6-4-12;1-12-7-16(17(10-20-12)23-11-14(19)9-22-23)18(24)21-8-13-3-5-15(25-2)6-4-13;1-10-7-13(14(16)9-17-10)15(19)18-8-11-3-5-12(20-2)6-4-11;1-20-10-4-2-9(3-5-10)7-18-14(19)11-6-13(15)17-8-12(11)16;1-12(2)13(3,4)16-14(15-12)10-11-8-6-5-7-9-11;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-10-8(11)6-2-4-7(5-3-6)9(12)13;1-10-8-4-2-7(6-9)3-5-8;8-5-2-1-4(7(10)11)3-6(5)9;7-5-1-3(6(10)11)4(8)2-9-5;1-4-7-5(2)9-6(3)8-4;4-3-1-5-6-2-3/h3-13,16-17,20H,14-15,18-19H2,1-2H3;3-11,14,17,26H,12-13,15-16H2,1-2H3;3-12,14-15H,13,16H2,1-2H3;2-8,11-12,14H,9-10,13H2,1H3,(H,28,31);3-9H,10H2,1-2H3;3-7,9-11H,8H2,1-2H3,(H,21,24);3-7,9H,8H2,1-2H3,(H,18,19);2-6,8H,7H2,1H3,(H,18,19);5-9H,10H2,1-4H3;1-8H;2-5,12-13H,1H3,(H,10,11);2-5H,6,9H2,1H3;1-3H,(H,10,11);1-2H,(H,10,11);1-3H3;1-2H,(H,5,6).

What are the key properties of 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-bromo-3-chlorobenzoic acid;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;5-bromo-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4-bromo-1H-pyrazole;5-(4-bromopyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;[4-(methylcarbamoyl)phenyl]boronic acid;1,10-phenanthroline;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?

5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-bromo-3-chlorobenzoic acid;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;5-bromo-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4-bromo-1H-pyrazole;5-(4-bromopyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;[4-(methylcarbamoyl)phenyl]boronic acid;1,10-phenanthroline;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane has a molecular weight of 4825.18 g/mol, XLogP of 41.36, 43 rotatable bonds, 12 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-chlorobenzoyl)-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;5-benzyl-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-bromo-3-chlorobenzoic acid;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;5-bromo-7-[(4-methoxyphenyl)methyl]-11-methyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4-bromo-1H-pyrazole;5-(4-bromopyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;[4-(methylcarbamoyl)phenyl]boronic acid;1,10-phenanthroline;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane is sourced from PubChem (CID 163926864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).