5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-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)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-fluorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one

C209H165Br8Cl7FN35O16 — CID 163486415

About 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-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)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-fluorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-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)-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-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)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-fluorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one (PubChem CID 163486415) has the molecular formula C209H165Br8Cl7FN35O16 and a molecular weight of 4329.25 g/mol. Its IUPAC name is 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-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)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-fluorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one.

Molecular Properties

• Compound Name: 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-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)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-fluorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one
• PubChem CID: 163486415
• Molecular Formula: C209H165Br8Cl7FN35O16
• Molecular Weight: 4329.25 g/mol
• Exact Mass: 4315.44
• IUPAC Name: 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-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)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-fluorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one
• SMILES: CC(C)c1cnn2c3c(c(=O)n(-c4ccccc4)c12)CCN(C(=O)c1ccc(Br)c(Cl)c1)C3.CC(C)c1nnn2c3c(c(=O)n(-c4ccccc4)c12)CCN(C(=O)c1ccc(Br)c(Cl)c1)C3.Cc1cnn2c3c(c(=O)n(-c4ccccc4)c12)CCN(C(=O)c1ccc(Br)c(Cl)c1)C3.Cc1nnn2c3c(c(=O)n(-c4ccccc4)c12)CCN(C(=O)c1ccc(Br)c(Cl)c1)C3.O=C(c1ccc(Br)c(Cl)c1)N1CCc2c(n3nc(Cc4ccccc4)cc3n(-c3ccccc3)c2=O)C1.O=C(c1ccc(Br)c(Cl)c1)N1CCc2c(n3ncc(Cc4ccccc4)c3n(-c3ccccc3)c2=O)C1.O=C(c1ccc(Br)c(Cl)c1)N1CCc2c(n3nnc(Cc4ccccc4)c3n(-c3ccccc3)c2=O)C1.O=C(c1ccc(Br)c(F)c1)N1CCc2c(n3ncc(Cc4ccccc4)c3n(-c3ccccc3)c2=O)C1
• InChI: InChI=1S/2C29H22BrClN4O2.C29H22BrFN4O2.C28H21BrClN5O2.C25H22BrClN4O2.C24H21BrClN5O2.C23H18BrClN4O2.C22H17BrClN5O2/c30-24-12-11-20(16-25(24)31)28(36)33-14-13-23-26(18-33)35-27(34(29(23)37)22-9-5-2-6-10-22)21(17-32-35)15-19-7-3-1-4-8-19;30-24-12-11-20(16-25(24)31)28(36)33-14-13-23-26(18-33)35-27(34(29(23)37)22-9-5-2-6-10-22)17-21(32-35)15-19-7-3-1-4-8-19;30-24-12-11-20(16-25(24)31)28(36)33-14-13-23-26(18-33)35-27(34(29(23)37)22-9-5-2-6-10-22)21(17-32-35)15-19-7-3-1-4-8-19;29-22-12-11-19(16-23(22)30)27(36)33-14-13-21-25(17-33)35-26(34(28(21)37)20-9-5-2-6-10-20)24(31-32-35)15-18-7-3-1-4-8-18;1-15(2)19-13-28-31-22-14-29(24(32)16-8-9-20(26)21(27)12-16)11-10-18(22)25(33)30(23(19)31)17-6-4-3-5-7-17;1-14(2)21-22-30(16-6-4-3-5-7-16)24(33)17-10-11-29(13-20(17)31(22)28-27-21)23(32)15-8-9-18(25)19(26)12-15;1-14-12-26-29-20-13-27(22(30)15-7-8-18(24)19(25)11-15)10-9-17(20)23(31)28(21(14)29)16-5-3-2-4-6-16;1-13-20-28(15-5-3-2-4-6-15)22(31)16-9-10-27(12-19(16)29(20)26-25-13)21(30)14-7-8-17(23)18(24)11-14/h3*1-12,16-17H,13-15,18H2;1-12,16H,13-15,17H2;3-9,12-13,15H,10-11,14H2,1-2H3;3-9,12,14H,10-11,13H2,1-2H3;2-8,11-12H,9-10,13H2,1H3;2-8,11H,9-10,12H2,1H3
• InChIKey: CIXUZFICMANILM-UHFFFAOYSA-N
• XLogP: 39.69
• TPSA: 515.55 Ų
• H-Bond Acceptors: 43
• Rotatable Bonds: 26
• Heavy Atoms: 276
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4329.25
LogP ≤ 5	39.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-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)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-fluorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one?

The IUPAC name of 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-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)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-fluorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one (CID 163486415) is 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-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)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-fluorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one.

What is the SMILES notation for 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-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)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-fluorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one?

The canonical SMILES for 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-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)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-fluorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one is CC(C)c1cnn2c3c(c(=O)n(-c4ccccc4)c12)CCN(C(=O)c1ccc(Br)c(Cl)c1)C3.CC(C)c1nnn2c3c(c(=O)n(-c4ccccc4)c12)CCN(C(=O)c1ccc(Br)c(Cl)c1)C3.Cc1cnn2c3c(c(=O)n(-c4ccccc4)c12)CCN(C(=O)c1ccc(Br)c(Cl)c1)C3.Cc1nnn2c3c(c(=O)n(-c4ccccc4)c12)CCN(C(=O)c1ccc(Br)c(Cl)c1)C3.O=C(c1ccc(Br)c(Cl)c1)N1CCc2c(n3nc(Cc4ccccc4)cc3n(-c3ccccc3)c2=O)C1.O=C(c1ccc(Br)c(Cl)c1)N1CCc2c(n3ncc(Cc4ccccc4)c3n(-c3ccccc3)c2=O)C1.O=C(c1ccc(Br)c(Cl)c1)N1CCc2c(n3nnc(Cc4ccccc4)c3n(-c3ccccc3)c2=O)C1.O=C(c1ccc(Br)c(F)c1)N1CCc2c(n3ncc(Cc4ccccc4)c3n(-c3ccccc3)c2=O)C1.

What is the InChIKey of 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-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)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-fluorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one?

The InChIKey is CIXUZFICMANILM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H22BrClN4O2.C29H22BrFN4O2.C28H21BrClN5O2.C25H22BrClN4O2.C24H21BrClN5O2.C23H18BrClN4O2.C22H17BrClN5O2/c30-24-12-11-20(16-25(24)31)28(36)33-14-13-23-26(18-33)35-27(34(29(23)37)22-9-5-2-6-10-22)21(17-32-35)15-19-7-3-1-4-8-19;30-24-12-11-20(16-25(24)31)28(36)33-14-13-23-26(18-33)35-27(34(29(23)37)22-9-5-2-6-10-22)17-21(32-35)15-19-7-3-1-4-8-19;30-24-12-11-20(16-25(24)31)28(36)33-14-13-23-26(18-33)35-27(34(29(23)37)22-9-5-2-6-10-22)21(17-32-35)15-19-7-3-1-4-8-19;29-22-12-11-19(16-23(22)30)27(36)33-14-13-21-25(17-33)35-26(34(28(21)37)20-9-5-2-6-10-20)24(31-32-35)15-18-7-3-1-4-8-18;1-15(2)19-13-28-31-22-14-29(24(32)16-8-9-20(26)21(27)12-16)11-10-18(22)25(33)30(23(19)31)17-6-4-3-5-7-17;1-14(2)21-22-30(16-6-4-3-5-7-16)24(33)17-10-11-29(13-20(17)31(22)28-27-21)23(32)15-8-9-18(25)19(26)12-15;1-14-12-26-29-20-13-27(22(30)15-7-8-18(24)19(25)11-15)10-9-17(20)23(31)28(21(14)29)16-5-3-2-4-6-16;1-13-20-28(15-5-3-2-4-6-15)22(31)16-9-10-27(12-19(16)29(20)26-25-13)21(30)14-7-8-17(23)18(24)11-14/h3*1-12,16-17H,13-15,18H2;1-12,16H,13-15,17H2;3-9,12-13,15H,10-11,14H2,1-2H3;3-9,12,14H,10-11,13H2,1-2H3;2-8,11-12H,9-10,13H2,1H3;2-8,11H,9-10,12H2,1H3.

What are the key properties of 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-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)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-fluorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-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)-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-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)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-fluorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one has a molecular weight of 4329.25 g/mol, XLogP of 39.69, 26 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-benzyl-12-(4-bromo-3-chlorobenzoyl)-7-phenyl-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)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;5-benzyl-12-(4-bromo-3-fluorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-5-methyl-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-5-propan-2-yl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one is sourced from PubChem (CID 163486415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).