5-[3-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]propanoyl]-3',7'-bis(azetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;3',7'-bis(azetidin-1-yl)-5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2',7'-bis(azetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;5-tert-butyl-3',7'-bis(3-fluoroazetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;bis(carbon dioxide);5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2'-(3,3-difluoroazetidin-1-yl)-7'-(3-fluoro-3-methylazetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;methane

C247H262Cl2F7N19O26Si5 — CID 176547186

About 5-[3-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]propanoyl]-3',7'-bis(azetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;3',7'-bis(azetidin-1-yl)-5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2',7'-bis(azetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;5-tert-butyl-3',7'-bis(3-fluoroazetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;bis(carbon dioxide);5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2'-(3,3-difluoroazetidin-1-yl)-7'-(3-fluoro-3-methylazetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;methane

5-[3-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]propanoyl]-3',7'-bis(azetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;3',7'-bis(azetidin-1-yl)-5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2',7'-bis(azetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;5-tert-butyl-3',7'-bis(3-fluoroazetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;bis(carbon dioxide);5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2'-(3,3-difluoroazetidin-1-yl)-7'-(3-fluoro-3-methylazetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;methane (PubChem CID 176547186) has the molecular formula C247H262Cl2F7N19O26Si5 and a molecular weight of 4257.24 g/mol. Its IUPAC name is 5-[3-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]propanoyl]-3',7'-bis(azetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;3',7'-bis(azetidin-1-yl)-5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2',7'-bis(azetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;5-tert-butyl-3',7'-bis(3-fluoroazetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;bis(carbon dioxide);5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2'-(3,3-difluoroazetidin-1-yl)-7'-(3-fluoro-3-methylazetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;methane.

Molecular Properties

• Compound Name: 5-[3-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]propanoyl]-3',7'-bis(azetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;3',7'-bis(azetidin-1-yl)-5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2',7'-bis(azetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;5-tert-butyl-3',7'-bis(3-fluoroazetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;bis(carbon dioxide);5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2'-(3,3-difluoroazetidin-1-yl)-7'-(3-fluoro-3-methylazetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;methane
• PubChem CID: 176547186
• Molecular Formula: C247H262Cl2F7N19O26Si5
• Molecular Weight: 4257.24 g/mol
• Exact Mass: 4252.79
• IUPAC Name: 5-[3-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]propanoyl]-3',7'-bis(azetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;3',7'-bis(azetidin-1-yl)-5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2',7'-bis(azetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;5-tert-butyl-3',7'-bis(3-fluoroazetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;bis(carbon dioxide);5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2'-(3,3-difluoroazetidin-1-yl)-7'-(3-fluoro-3-methylazetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;methane
• SMILES: C.CC(C)(C)c1ccc2c(c1)C1(OC2=O)c2ccc(N3CC(F)C3)cc2[Si](C)(C)c2cc(N3CC(F)C3)ccc21.CC1(C)c2cc(N3CCC3)ccc2C2(OC(=O)c3ccccc32)c2ccc(N3CCC3)cc21.CC1(F)CN(c2ccc3c(c2)C(C)(C)c2cc(N4CC(F)(F)C4)ccc2C32OC(=O)c3ccccc32)C1.CC1CN(c2ccc3c(c2)[Si](C)(C)c2cc(N4CC(F)C4)ccc2C32OC(=O)c3ccc(C(=O)CCCOCCOCCCCCCCl)cc32)C1.CC1CN(c2ccc3c(c2)[Si](C)(C)c2cc(N4CC(F)C4)ccc2C32OC(=O)c3ccccc32)C1.C[Si]1(C)c2cc(N3CCC3)ccc2C2(OC(=O)c3ccc(C(=O)CCCOCCOCCCCCCCl)cc32)c2ccc(N3CCC3)cc21.C[Si]1(C)c2cc(N3CCC3)ccc2C2(OC(=O)c3ccc(C(=O)CCc4ccc(COc5nc(N)nc6nc[nH]c56)cc4)cc32)c2ccc(N3CCC3)cc21.O=C=O.O=C=O
• InChI: InChI=1S/C43H41N7O4Si.C41H50ClFN2O5Si.C40H49ClN2O5Si.C32H34F2N2O2Si.C30H27F3N2O2.C29H29FN2O2Si.C29H28N2O2.2CO2.CH4/c1-55(2)36-22-29(49-17-3-18-49)11-14-32(36)43(33-15-12-30(23-37(33)55)50-19-4-20-50)34-21-28(10-13-31(34)41(52)54-43)35(51)16-9-26-5-7-27(8-6-26)24-53-40-38-39(46-25-45-38)47-42(44)48-40;1-28-24-44(25-28)31-11-14-34-38(22-31)51(2,3)39-23-32(45-26-30(43)27-45)12-15-35(39)41(34)36-21-29(10-13-33(36)40(47)50-41)37(46)9-8-18-49-20-19-48-17-7-5-4-6-16-42;1-49(2)37-27-30(42-18-8-19-42)12-15-33(37)40(34-16-13-31(28-38(34)49)43-20-9-21-43)35-26-29(11-14-32(35)39(45)48-40)36(44)10-7-23-47-25-24-46-22-6-4-3-5-17-41;1-31(2,3)19-6-9-24-27(12-19)32(38-30(24)37)25-10-7-22(35-15-20(33)16-35)13-28(25)39(4,5)29-14-23(8-11-26(29)32)36-17-21(34)18-36;1-27(2)24-12-18(34-14-28(3,31)15-34)8-10-22(24)30(21-7-5-4-6-20(21)26(36)37-30)23-11-9-19(13-25(23)27)35-16-29(32,33)17-35;1-18-14-31(15-18)20-8-10-24-26(12-20)35(2,3)27-13-21(32-16-19(30)17-32)9-11-25(27)29(24)23-7-5-4-6-22(23)28(33)34-29;1-28(2)25-17-19(30-13-5-14-30)9-11-23(25)29(22-8-4-3-7-21(22)27(32)33-29)24-12-10-20(18-26(24)28)31-15-6-16-31;2*2-1-3;/h5-8,10-15,21-23,25H,3-4,9,16-20,24H2,1-2H3,(H3,44,45,46,47,48);10-15,21-23,28,30H,4-9,16-20,24-27H2,1-3H3;11-16,26-28H,3-10,17-25H2,1-2H3;6-14,20-21H,15-18H2,1-5H3;4-13H,14-17H2,1-3H3;4-13,18-19H,14-17H2,1-3H3;3-4,7-12,17-18H,5-6,13-16H2,1-2H3;;;1H4
• InChIKey: PUEXBEVEFSIYDS-UHFFFAOYSA-N
• XLogP: 37.81
• TPSA: 475.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 44
• Rotatable Bonds: 49
• Heavy Atoms: 306
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4257.24
LogP ≤ 5	37.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]propanoyl]-3',7'-bis(azetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;3',7'-bis(azetidin-1-yl)-5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2',7'-bis(azetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;5-tert-butyl-3',7'-bis(3-fluoroazetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;bis(carbon dioxide);5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2'-(3,3-difluoroazetidin-1-yl)-7'-(3-fluoro-3-methylazetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;methane?

The IUPAC name of 5-[3-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]propanoyl]-3',7'-bis(azetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;3',7'-bis(azetidin-1-yl)-5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2',7'-bis(azetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;5-tert-butyl-3',7'-bis(3-fluoroazetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;bis(carbon dioxide);5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2'-(3,3-difluoroazetidin-1-yl)-7'-(3-fluoro-3-methylazetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;methane (CID 176547186) is 5-[3-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]propanoyl]-3',7'-bis(azetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;3',7'-bis(azetidin-1-yl)-5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2',7'-bis(azetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;5-tert-butyl-3',7'-bis(3-fluoroazetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;bis(carbon dioxide);5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2'-(3,3-difluoroazetidin-1-yl)-7'-(3-fluoro-3-methylazetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;methane.

What is the SMILES notation for 5-[3-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]propanoyl]-3',7'-bis(azetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;3',7'-bis(azetidin-1-yl)-5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2',7'-bis(azetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;5-tert-butyl-3',7'-bis(3-fluoroazetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;bis(carbon dioxide);5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2'-(3,3-difluoroazetidin-1-yl)-7'-(3-fluoro-3-methylazetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;methane?

The canonical SMILES for 5-[3-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]propanoyl]-3',7'-bis(azetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;3',7'-bis(azetidin-1-yl)-5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2',7'-bis(azetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;5-tert-butyl-3',7'-bis(3-fluoroazetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;bis(carbon dioxide);5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2'-(3,3-difluoroazetidin-1-yl)-7'-(3-fluoro-3-methylazetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;methane is C.CC(C)(C)c1ccc2c(c1)C1(OC2=O)c2ccc(N3CC(F)C3)cc2[Si](C)(C)c2cc(N3CC(F)C3)ccc21.CC1(C)c2cc(N3CCC3)ccc2C2(OC(=O)c3ccccc32)c2ccc(N3CCC3)cc21.CC1(F)CN(c2ccc3c(c2)C(C)(C)c2cc(N4CC(F)(F)C4)ccc2C32OC(=O)c3ccccc32)C1.CC1CN(c2ccc3c(c2)[Si](C)(C)c2cc(N4CC(F)C4)ccc2C32OC(=O)c3ccc(C(=O)CCCOCCOCCCCCCCl)cc32)C1.CC1CN(c2ccc3c(c2)[Si](C)(C)c2cc(N4CC(F)C4)ccc2C32OC(=O)c3ccccc32)C1.C[Si]1(C)c2cc(N3CCC3)ccc2C2(OC(=O)c3ccc(C(=O)CCCOCCOCCCCCCCl)cc32)c2ccc(N3CCC3)cc21.C[Si]1(C)c2cc(N3CCC3)ccc2C2(OC(=O)c3ccc(C(=O)CCc4ccc(COc5nc(N)nc6nc[nH]c56)cc4)cc32)c2ccc(N3CCC3)cc21.O=C=O.O=C=O.

What is the InChIKey of 5-[3-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]propanoyl]-3',7'-bis(azetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;3',7'-bis(azetidin-1-yl)-5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2',7'-bis(azetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;5-tert-butyl-3',7'-bis(3-fluoroazetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;bis(carbon dioxide);5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2'-(3,3-difluoroazetidin-1-yl)-7'-(3-fluoro-3-methylazetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;methane?

The InChIKey is PUEXBEVEFSIYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H41N7O4Si.C41H50ClFN2O5Si.C40H49ClN2O5Si.C32H34F2N2O2Si.C30H27F3N2O2.C29H29FN2O2Si.C29H28N2O2.2CO2.CH4/c1-55(2)36-22-29(49-17-3-18-49)11-14-32(36)43(33-15-12-30(23-37(33)55)50-19-4-20-50)34-21-28(10-13-31(34)41(52)54-43)35(51)16-9-26-5-7-27(8-6-26)24-53-40-38-39(46-25-45-38)47-42(44)48-40;1-28-24-44(25-28)31-11-14-34-38(22-31)51(2,3)39-23-32(45-26-30(43)27-45)12-15-35(39)41(34)36-21-29(10-13-33(36)40(47)50-41)37(46)9-8-18-49-20-19-48-17-7-5-4-6-16-42;1-49(2)37-27-30(42-18-8-19-42)12-15-33(37)40(34-16-13-31(28-38(34)49)43-20-9-21-43)35-26-29(11-14-32(35)39(45)48-40)36(44)10-7-23-47-25-24-46-22-6-4-3-5-17-41;1-31(2,3)19-6-9-24-27(12-19)32(38-30(24)37)25-10-7-22(35-15-20(33)16-35)13-28(25)39(4,5)29-14-23(8-11-26(29)32)36-17-21(34)18-36;1-27(2)24-12-18(34-14-28(3,31)15-34)8-10-22(24)30(21-7-5-4-6-20(21)26(36)37-30)23-11-9-19(13-25(23)27)35-16-29(32,33)17-35;1-18-14-31(15-18)20-8-10-24-26(12-20)35(2,3)27-13-21(32-16-19(30)17-32)9-11-25(27)29(24)23-7-5-4-6-22(23)28(33)34-29;1-28(2)25-17-19(30-13-5-14-30)9-11-23(25)29(22-8-4-3-7-21(22)27(32)33-29)24-12-10-20(18-26(24)28)31-15-6-16-31;2*2-1-3;/h5-8,10-15,21-23,25H,3-4,9,16-20,24H2,1-2H3,(H3,44,45,46,47,48);10-15,21-23,28,30H,4-9,16-20,24-27H2,1-3H3;11-16,26-28H,3-10,17-25H2,1-2H3;6-14,20-21H,15-18H2,1-5H3;4-13H,14-17H2,1-3H3;4-13,18-19H,14-17H2,1-3H3;3-4,7-12,17-18H,5-6,13-16H2,1-2H3;;;1H4.

What are the key properties of 5-[3-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]propanoyl]-3',7'-bis(azetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;3',7'-bis(azetidin-1-yl)-5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2',7'-bis(azetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;5-tert-butyl-3',7'-bis(3-fluoroazetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;bis(carbon dioxide);5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2'-(3,3-difluoroazetidin-1-yl)-7'-(3-fluoro-3-methylazetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;methane?

5-[3-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]propanoyl]-3',7'-bis(azetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;3',7'-bis(azetidin-1-yl)-5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2',7'-bis(azetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;5-tert-butyl-3',7'-bis(3-fluoroazetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;bis(carbon dioxide);5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2'-(3,3-difluoroazetidin-1-yl)-7'-(3-fluoro-3-methylazetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;methane has a molecular weight of 4257.24 g/mol, XLogP of 37.81, 49 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]propanoyl]-3',7'-bis(azetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;3',7'-bis(azetidin-1-yl)-5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2',7'-bis(azetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;5-tert-butyl-3',7'-bis(3-fluoroazetidin-1-yl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;bis(carbon dioxide);5-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;2'-(3,3-difluoroazetidin-1-yl)-7'-(3-fluoro-3-methylazetidin-1-yl)-9',9'-dimethylspiro[2-benzofuran-3,10'-anthracene]-1-one;3'-(3-fluoroazetidin-1-yl)-5',5'-dimethyl-7'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one;methane is sourced from PubChem (CID 176547186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).