8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-1H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;(2-methyl-6H-naphtho[1,2-c]isochromen-8-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane

C225H256B3Br5F5N19O45S — CID 157076631

About 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-1H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;(2-methyl-6H-naphtho[1,2-c]isochromen-8-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane

8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-1H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;(2-methyl-6H-naphtho[1,2-c]isochromen-8-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane (PubChem CID 157076631) has the molecular formula C225H256B3Br5F5N19O45S and a molecular weight of 4505.62 g/mol. Its IUPAC name is 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-1H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;(2-methyl-6H-naphtho[1,2-c]isochromen-8-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-1H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;(2-methyl-6H-naphtho[1,2-c]isochromen-8-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane
• PubChem CID: 157076631
• Molecular Formula: C225H256B3Br5F5N19O45S
• Molecular Weight: 4505.62 g/mol
• Exact Mass: 4498.42
• IUPAC Name: 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-1H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;(2-methyl-6H-naphtho[1,2-c]isochromen-8-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane
• SMILES: Brc1ccc(-c2c[nH]c([C@@H]3C[C@H](Oc4cnccn4)CN3)c2)cc1.CC(C)(C)OC(=O)N1C[C@@H](OC(F)F)C[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1.CC1(C)OB(c2ccc3c(c2)COc2c-3ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc23)OC1(C)C.COC(=O)C[C@H](C(=O)N1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC)C(C)C.COC(=O)C[C@H](C(=O)N1CN(Cc2ccccc2)C[C@H]1C(=O)OC)C(C)C.COC(=O)N[C@H](C(=O)N1C[C@@H](Oc2cnccn2)C[C@H]1C1=NC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1)C(C)C.COC(=O)[C@@H]1CN(Cc2ccccc2)CN1.COCCO[C@H]1C[C@@H](C2=NC=C(c3ccc(Br)cc3)C2)N(C(=O)[C@@H](NC(=O)OC)C(C)C)C1.COc1ccc2c3c(ccc2c1)-c1ccc(Br)cc1CO3.Cc1ccc2c3c(ccc2c1)-c1ccc(OS(=O)(=O)C(F)(F)F)cc1CO3.Oc1ccc2c3c(ccc2c1)-c1ccc(Br)cc1CO3
• InChI: InChI=1S/C31H40BN5O6.C29H34B2O5.C24H32BrN3O5.C20H28N2O5.C19H22BrF2NO6.C19H13F3O4S.C18H17BrN4O.C18H13BrO2.C18H30N2O7.C17H11BrO2.C12H16N2O2/c1-19(2)27(36-29(39)40-7)28(38)37-18-23(41-26-17-33-12-13-34-26)15-25(37)24-14-21(16-35-24)20-8-10-22(11-9-20)32-42-30(3,4)31(5,6)43-32;1-26(2)27(3,4)34-30(33-26)20-11-14-23-18(15-20)9-12-24-22-13-10-21(16-19(22)17-32-25(23)24)31-35-28(5,6)29(7,8)36-31;1-15(2)22(27-24(30)32-4)23(29)28-14-19(33-10-9-31-3)12-21(28)20-11-17(13-26-20)16-5-7-18(25)8-6-16;1-14(2)16(10-18(23)26-3)19(24)22-13-21(12-17(22)20(25)27-4)11-15-8-6-5-7-9-15;1-19(2,3)29-18(26)23-9-13(28-17(21)22)8-14(23)16(25)27-10-15(24)11-4-6-12(20)7-5-11;1-11-2-5-16-12(8-11)3-6-17-15-7-4-14(9-13(15)10-25-18(16)17)26-27(23,24)19(20,21)22;19-14-3-1-12(2-4-14)13-7-16(22-9-13)17-8-15(10-23-17)24-18-11-20-5-6-21-18;1-20-14-4-7-16-11(9-14)2-5-17-15-6-3-13(19)8-12(15)10-21-18(16)17;1-11(2)12(8-14(21)25-6)15(22)20-10-19(9-13(20)16(23)26-7)17(24)27-18(3,4)5;18-12-2-5-14-11(7-12)9-20-17-15-6-3-13(19)8-10(15)1-4-16(14)17;1-16-12(15)11-8-14(9-13-11)7-10-5-3-2-4-6-10/h8-13,16-17,19,23,25,27H,14-15,18H2,1-7H3,(H,36,39);9-16H,17H2,1-8H3;5-8,13,15,19,21-22H,9-12,14H2,1-4H3,(H,27,30);5-9,14,16-17H,10-13H2,1-4H3;4-7,13-14,17H,8-10H2,1-3H3;2-9H,10H2,1H3;1-7,9,11,15,17,22-23H,8,10H2;2-9H,10H2,1H3;11-13H,8-10H2,1-7H3;1-8,19H,9H2;2-6,11,13H,7-9H2,1H3/t23-,25-,27-;;19-,21-,22-;16-,17-;13-,14-;;15-,17-;;12-,13-;;11-/m0.000.0.0.0/s1
• InChIKey: ADAVTQJOBRSERI-OUJRTVNNSA-N
• XLogP: 38.17
• TPSA: 725.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 55
• Rotatable Bonds: 47
• Heavy Atoms: 303
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4505.62
LogP ≤ 5	38.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-1H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;(2-methyl-6H-naphtho[1,2-c]isochromen-8-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane?

The IUPAC name of 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-1H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;(2-methyl-6H-naphtho[1,2-c]isochromen-8-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane (CID 157076631) is 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-1H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;(2-methyl-6H-naphtho[1,2-c]isochromen-8-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane.

What is the SMILES notation for 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-1H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;(2-methyl-6H-naphtho[1,2-c]isochromen-8-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane?

The canonical SMILES for 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-1H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;(2-methyl-6H-naphtho[1,2-c]isochromen-8-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane is Brc1ccc(-c2c[nH]c([C@@H]3C[C@H](Oc4cnccn4)CN3)c2)cc1.CC(C)(C)OC(=O)N1C[C@@H](OC(F)F)C[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1.CC1(C)OB(c2ccc3c(c2)COc2c-3ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc23)OC1(C)C.COC(=O)C[C@H](C(=O)N1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC)C(C)C.COC(=O)C[C@H](C(=O)N1CN(Cc2ccccc2)C[C@H]1C(=O)OC)C(C)C.COC(=O)N[C@H](C(=O)N1C[C@@H](Oc2cnccn2)C[C@H]1C1=NC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1)C(C)C.COC(=O)[C@@H]1CN(Cc2ccccc2)CN1.COCCO[C@H]1C[C@@H](C2=NC=C(c3ccc(Br)cc3)C2)N(C(=O)[C@@H](NC(=O)OC)C(C)C)C1.COc1ccc2c3c(ccc2c1)-c1ccc(Br)cc1CO3.Cc1ccc2c3c(ccc2c1)-c1ccc(OS(=O)(=O)C(F)(F)F)cc1CO3.Oc1ccc2c3c(ccc2c1)-c1ccc(Br)cc1CO3.

What is the InChIKey of 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-1H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;(2-methyl-6H-naphtho[1,2-c]isochromen-8-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane?

The InChIKey is ADAVTQJOBRSERI-OUJRTVNNSA-N. The full InChI is InChI=1S/C31H40BN5O6.C29H34B2O5.C24H32BrN3O5.C20H28N2O5.C19H22BrF2NO6.C19H13F3O4S.C18H17BrN4O.C18H13BrO2.C18H30N2O7.C17H11BrO2.C12H16N2O2/c1-19(2)27(36-29(39)40-7)28(38)37-18-23(41-26-17-33-12-13-34-26)15-25(37)24-14-21(16-35-24)20-8-10-22(11-9-20)32-42-30(3,4)31(5,6)43-32;1-26(2)27(3,4)34-30(33-26)20-11-14-23-18(15-20)9-12-24-22-13-10-21(16-19(22)17-32-25(23)24)31-35-28(5,6)29(7,8)36-31;1-15(2)22(27-24(30)32-4)23(29)28-14-19(33-10-9-31-3)12-21(28)20-11-17(13-26-20)16-5-7-18(25)8-6-16;1-14(2)16(10-18(23)26-3)19(24)22-13-21(12-17(22)20(25)27-4)11-15-8-6-5-7-9-15;1-19(2,3)29-18(26)23-9-13(28-17(21)22)8-14(23)16(25)27-10-15(24)11-4-6-12(20)7-5-11;1-11-2-5-16-12(8-11)3-6-17-15-7-4-14(9-13(15)10-25-18(16)17)26-27(23,24)19(20,21)22;19-14-3-1-12(2-4-14)13-7-16(22-9-13)17-8-15(10-23-17)24-18-11-20-5-6-21-18;1-20-14-4-7-16-11(9-14)2-5-17-15-6-3-13(19)8-12(15)10-21-18(16)17;1-11(2)12(8-14(21)25-6)15(22)20-10-19(9-13(20)16(23)26-7)17(24)27-18(3,4)5;18-12-2-5-14-11(7-12)9-20-17-15-6-3-13(19)8-10(15)1-4-16(14)17;1-16-12(15)11-8-14(9-13-11)7-10-5-3-2-4-6-10/h8-13,16-17,19,23,25,27H,14-15,18H2,1-7H3,(H,36,39);9-16H,17H2,1-8H3;5-8,13,15,19,21-22H,9-12,14H2,1-4H3,(H,27,30);5-9,14,16-17H,10-13H2,1-4H3;4-7,13-14,17H,8-10H2,1-3H3;2-9H,10H2,1H3;1-7,9,11,15,17,22-23H,8,10H2;2-9H,10H2,1H3;11-13H,8-10H2,1-7H3;1-8,19H,9H2;2-6,11,13H,7-9H2,1H3/t23-,25-,27-;;19-,21-,22-;16-,17-;13-,14-;;15-,17-;;12-,13-;;11-/m0.000.0.0.0/s1.

What are the key properties of 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-1H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;(2-methyl-6H-naphtho[1,2-c]isochromen-8-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane?

8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-1H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;(2-methyl-6H-naphtho[1,2-c]isochromen-8-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane has a molecular weight of 4505.62 g/mol, XLogP of 38.17, 47 rotatable bonds, 6 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-1H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;(2-methyl-6H-naphtho[1,2-c]isochromen-8-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 157076631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).