12-chloro-3,5,10,13,16-pentamethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;12-chloro-3,5,13,16-tetramethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene 9,9-dioxide;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;12-chloro-3,5,13,16-tetramethyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one

C173H228Cl10N56O9S2 — CID 167632686

About 12-chloro-3,5,10,13,16-pentamethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;12-chloro-3,5,13,16-tetramethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene 9,9-dioxide;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;12-chloro-3,5,13,16-tetramethyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one

12-chloro-3,5,10,13,16-pentamethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;12-chloro-3,5,13,16-tetramethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene 9,9-dioxide;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;12-chloro-3,5,13,16-tetramethyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one (PubChem CID 167632686) has the molecular formula C173H228Cl10N56O9S2 and a molecular weight of 3654.77 g/mol. Its IUPAC name is 12-chloro-3,5,10,13,16-pentamethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;12-chloro-3,5,13,16-tetramethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene 9,9-dioxide;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;12-chloro-3,5,13,16-tetramethyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one.

Molecular Properties

• Compound Name: 12-chloro-3,5,10,13,16-pentamethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;12-chloro-3,5,13,16-tetramethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene 9,9-dioxide;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;12-chloro-3,5,13,16-tetramethyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one
• PubChem CID: 167632686
• Molecular Formula: C173H228Cl10N56O9S2
• Molecular Weight: 3654.77 g/mol
• Exact Mass: 3647.54
• IUPAC Name: 12-chloro-3,5,10,13,16-pentamethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;12-chloro-3,5,13,16-tetramethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene 9,9-dioxide;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;12-chloro-3,5,13,16-tetramethyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one
• SMILES: C=C1N=C2c3c(nc(C)c(Cl)c3N(C)C(=O)C3CN(C)CC(C)N23)N1C.C=C1N=C2c3c(nc(C)c(Cl)c3N(C)CC3CN(C)CC(C)N23)N1C.C=C1N=C2c3c(nc(C)c(Cl)c3NC(=O)C3CN(C)CC(C)N23)N1C.C=C1N=C2c3c(nc(C)c(Cl)c3NCC3CN(C)CC(C)N23)N1C.C=C1N=C2c3c(nc(C)c(Cl)c3OCC3CN(C)CC(C)N23)N1C.C=C1N=C2c3c(nc(C)c(Cl)c3S(=O)(=O)CC3CN(C)CC(C)N23)N1C.C=C1N=C2c3c(nc(C)c(Cl)c3SCC3CN(C)CC(C)N23)N1C.Cc1nc2c3c(nc(=O)n2C)N2C(C)CN(C)CC2CCN(C)c3c1Cl.Cc1nc2c3c(nc(=O)n2C)N2C(C)CN(C)CC2CCNc3c1Cl.Cc1nc2c3c(nc(=O)n2C)N2C(C)CN(C)CC2CCOc3c1Cl
• InChI: InChI=1S/C18H23ClN6O.C18H25ClN6O.C18H25ClN6.C17H21ClN6O.C17H23ClN6O.C17H23ClN6.C17H22ClN5O2S.C17H22ClN5O2.C17H22ClN5O.C17H22ClN5S/c1-9-7-22(4)8-12-18(26)24(6)15-13-16(20-10(2)14(15)19)23(5)11(3)21-17(13)25(9)12;1-10-8-22(3)9-12-6-7-23(4)15-13-16(20-11(2)14(15)19)24(5)18(26)21-17(13)25(10)12;1-10-7-22(4)8-13-9-23(5)16-14-17(20-11(2)15(16)19)24(6)12(3)21-18(14)25(10)13;1-8-6-22(4)7-11-17(25)21-14-12-15(19-9(2)13(14)18)23(5)10(3)20-16(12)24(8)11;1-9-7-22(3)8-11-5-6-19-14-12-15(20-10(2)13(14)18)23(4)17(25)21-16(12)24(9)11;1-9-7-22(4)8-12-6-19-15-13-16(20-10(2)14(15)18)23(5)11(3)21-17(13)24(9)12;1-9-6-21(4)7-12-8-26(24,25)15-13-16(19-10(2)14(15)18)22(5)11(3)20-17(13)23(9)12;1-9-7-21(3)8-11-5-6-25-14-12-15(19-10(2)13(14)18)22(4)17(24)20-16(12)23(9)11;2*1-9-6-21(4)7-12-8-24-15-13-16(19-10(2)14(15)18)22(5)11(3)20-17(13)23(9)12/h9,12H,3,7-8H2,1-2,4-6H3;10,12H,6-9H2,1-5H3;10,13H,3,7-9H2,1-2,4-6H3;8,11H,3,6-7H2,1-2,4-5H3,(H,21,25);9,11,19H,5-8H2,1-4H3;9,12,19H,3,6-8H2,1-2,4-5H3;9,12H,3,6-8H2,1-2,4-5H3;9,11H,5-8H2,1-4H3;2*9,12H,3,6-8H2,1-2,4-5H3
• InChIKey: OAKJOQUEMSGKGP-UHFFFAOYSA-N
• XLogP: 18.93
• TPSA: 540.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 64
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3654.77
LogP ≤ 5	18.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of 12-chloro-3,5,10,13,16-pentamethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;12-chloro-3,5,13,16-tetramethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene 9,9-dioxide;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;12-chloro-3,5,13,16-tetramethyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one?

The IUPAC name of 12-chloro-3,5,10,13,16-pentamethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;12-chloro-3,5,13,16-tetramethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene 9,9-dioxide;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;12-chloro-3,5,13,16-tetramethyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one (CID 167632686) is 12-chloro-3,5,10,13,16-pentamethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;12-chloro-3,5,13,16-tetramethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene 9,9-dioxide;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;12-chloro-3,5,13,16-tetramethyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one.

What is the SMILES notation for 12-chloro-3,5,10,13,16-pentamethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;12-chloro-3,5,13,16-tetramethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene 9,9-dioxide;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;12-chloro-3,5,13,16-tetramethyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one?

The canonical SMILES for 12-chloro-3,5,10,13,16-pentamethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;12-chloro-3,5,13,16-tetramethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene 9,9-dioxide;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;12-chloro-3,5,13,16-tetramethyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one is C=C1N=C2c3c(nc(C)c(Cl)c3N(C)C(=O)C3CN(C)CC(C)N23)N1C.C=C1N=C2c3c(nc(C)c(Cl)c3N(C)CC3CN(C)CC(C)N23)N1C.C=C1N=C2c3c(nc(C)c(Cl)c3NC(=O)C3CN(C)CC(C)N23)N1C.C=C1N=C2c3c(nc(C)c(Cl)c3NCC3CN(C)CC(C)N23)N1C.C=C1N=C2c3c(nc(C)c(Cl)c3OCC3CN(C)CC(C)N23)N1C.C=C1N=C2c3c(nc(C)c(Cl)c3S(=O)(=O)CC3CN(C)CC(C)N23)N1C.C=C1N=C2c3c(nc(C)c(Cl)c3SCC3CN(C)CC(C)N23)N1C.Cc1nc2c3c(nc(=O)n2C)N2C(C)CN(C)CC2CCN(C)c3c1Cl.Cc1nc2c3c(nc(=O)n2C)N2C(C)CN(C)CC2CCNc3c1Cl.Cc1nc2c3c(nc(=O)n2C)N2C(C)CN(C)CC2CCOc3c1Cl.

What is the InChIKey of 12-chloro-3,5,10,13,16-pentamethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;12-chloro-3,5,13,16-tetramethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene 9,9-dioxide;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;12-chloro-3,5,13,16-tetramethyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one?

The InChIKey is OAKJOQUEMSGKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O.C18H25ClN6O.C18H25ClN6.C17H21ClN6O.C17H23ClN6O.C17H23ClN6.C17H22ClN5O2S.C17H22ClN5O2.C17H22ClN5O.C17H22ClN5S/c1-9-7-22(4)8-12-18(26)24(6)15-13-16(20-10(2)14(15)19)23(5)11(3)21-17(13)25(9)12;1-10-8-22(3)9-12-6-7-23(4)15-13-16(20-11(2)14(15)19)24(5)18(26)21-17(13)25(10)12;1-10-7-22(4)8-13-9-23(5)16-14-17(20-11(2)15(16)19)24(6)12(3)21-18(14)25(10)13;1-8-6-22(4)7-11-17(25)21-14-12-15(19-9(2)13(14)18)23(5)10(3)20-16(12)24(8)11;1-9-7-22(3)8-11-5-6-19-14-12-15(20-10(2)13(14)18)23(4)17(25)21-16(12)24(9)11;1-9-7-22(4)8-12-6-19-15-13-16(20-10(2)14(15)18)23(5)11(3)21-17(13)24(9)12;1-9-6-21(4)7-12-8-26(24,25)15-13-16(19-10(2)14(15)18)22(5)11(3)20-17(13)23(9)12;1-9-7-21(3)8-11-5-6-25-14-12-15(19-10(2)13(14)18)22(4)17(24)20-16(12)23(9)11;2*1-9-6-21(4)7-12-8-24-15-13-16(19-10(2)14(15)18)22(5)11(3)20-17(13)23(9)12/h9,12H,3,7-8H2,1-2,4-6H3;10,12H,6-9H2,1-5H3;10,13H,3,7-9H2,1-2,4-6H3;8,11H,3,6-7H2,1-2,4-5H3,(H,21,25);9,11,19H,5-8H2,1-4H3;9,12,19H,3,6-8H2,1-2,4-5H3;9,12H,3,6-8H2,1-2,4-5H3;9,11H,5-8H2,1-4H3;2*9,12H,3,6-8H2,1-2,4-5H3.

What are the key properties of 12-chloro-3,5,10,13,16-pentamethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;12-chloro-3,5,13,16-tetramethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene 9,9-dioxide;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;12-chloro-3,5,13,16-tetramethyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one?

12-chloro-3,5,10,13,16-pentamethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;12-chloro-3,5,13,16-tetramethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene 9,9-dioxide;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;12-chloro-3,5,13,16-tetramethyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one has a molecular weight of 3654.77 g/mol, XLogP of 18.93, 0 rotatable bonds, 3 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for 12-chloro-3,5,10,13,16-pentamethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;12-chloro-3,5,13,16-tetramethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene 9,9-dioxide;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;12-chloro-3,5,13,16-tetramethyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one is sourced from PubChem (CID 167632686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).