5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxa-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithia-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5-oxa-18-thiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;1-(16-heptanoyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaen-7-yl)heptan-1-one;5,6,17,18-tetramethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;5,6,17,18-tetramethyl-5,7,16,18-tetrazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17,18-trimethyl-5-thia-18-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;7-undecyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene

C244H211N13O7S10 — CID 159032029

About 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxa-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithia-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5-oxa-18-thiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;1-(16-heptanoyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaen-7-yl)heptan-1-one;5,6,17,18-tetramethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;5,6,17,18-tetramethyl-5,7,16,18-tetrazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17,18-trimethyl-5-thia-18-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;7-undecyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene

5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxa-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithia-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5-oxa-18-thiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;1-(16-heptanoyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaen-7-yl)heptan-1-one;5,6,17,18-tetramethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;5,6,17,18-tetramethyl-5,7,16,18-tetrazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17,18-trimethyl-5-thia-18-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;7-undecyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene (PubChem CID 159032029) has the molecular formula C244H211N13O7S10 and a molecular weight of 3758.13 g/mol. Its IUPAC name is 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxa-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithia-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5-oxa-18-thiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;1-(16-heptanoyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaen-7-yl)heptan-1-one;5,6,17,18-tetramethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;5,6,17,18-tetramethyl-5,7,16,18-tetrazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17,18-trimethyl-5-thia-18-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;7-undecyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene.

Molecular Properties

• Compound Name: 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxa-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithia-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5-oxa-18-thiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;1-(16-heptanoyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaen-7-yl)heptan-1-one;5,6,17,18-tetramethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;5,6,17,18-tetramethyl-5,7,16,18-tetrazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17,18-trimethyl-5-thia-18-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;7-undecyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
• PubChem CID: 159032029
• Molecular Formula: C244H211N13O7S10
• Molecular Weight: 3758.13 g/mol
• Exact Mass: 3754.38
• IUPAC Name: 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxa-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithia-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5-oxa-18-thiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;1-(16-heptanoyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaen-7-yl)heptan-1-one;5,6,17,18-tetramethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;5,6,17,18-tetramethyl-5,7,16,18-tetrazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17,18-trimethyl-5-thia-18-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;7-undecyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
• SMILES: CCCCCCC(=O)c1cc2c(ccc3c2ccc2c4cc(C(=O)CCCCCC)sc4ccc23)s1.CCCCCCCCCCCc1cc2c(ccc3c2ccc2c4ccsc4ccc23)s1.CCn1c(C)cc2cc3ccc4cc5cc(C)n(CC)c5cc4c3cc21.Cc1cc2cc3ccc4cc5cc(C)n(C)c5cc4c3cc2n1C.Cc1cc2cc3ccc4cc5cc(C)n(C)c5cc4c3cc2s1.Cc1cc2cc3ccc4cc5cc(C)oc5cc4c3cc2o1.Cc1cc2cc3ccc4cc5cc(C)sc5cc4c3cc2o1.Cc1cc2cc3ccc4cc5cc(C)sc5cc4c3cc2s1.Cc1nc2cc3ccc4cc5nc(C)n(C)c5cc4c3cc2n1C.Cc1nc2cc3ccc4cc5nc(C)oc5cc4c3cc2o1.Cc1nc2cc3ccc4cc5nc(C)sc5cc4c3cc2s1
• InChI: InChI=1S/C32H34O2S2.C29H32S2.C24H24N2.C22H20N2.C21H17NS.C20H18N4.C20H14O2.C20H14OS.C20H14S2.C18H12N2O2.C18H12N2S2/c1-3-5-7-9-11-27(33)31-19-25-23-13-14-24-22(21(23)15-17-29(25)35-31)16-18-30-26(24)20-32(36-30)28(34)12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-21-20-27-25-13-12-24-22(23(25)15-17-29(27)31-21)14-16-28-26(24)18-19-30-28;1-5-25-15(3)9-19-11-17-7-8-18-12-20-10-16(4)26(6-2)24(20)14-22(18)21(17)13-23(19)25;1-13-7-17-9-15-5-6-16-10-18-8-14(2)24(4)22(18)12-20(16)19(15)11-21(17)23(13)3;1-12-6-16-8-14-4-5-15-9-17-7-13(2)23-21(17)11-19(15)18(14)10-20(16)22(12)3;1-11-21-17-7-13-5-6-14-8-18-20(24(4)12(2)22-18)10-16(14)15(13)9-19(17)23(11)3;3*1-11-5-15-7-13-3-4-14-8-16-6-12(2)22-20(16)10-18(14)17(13)9-19(15)21-11;2*1-9-19-15-5-11-3-4-12-6-16-18(22-10(2)20-16)8-14(12)13(11)7-17(15)21-9/h13-20H,3-12H2,1-2H3;12-20H,2-11H2,1H3;7-14H,5-6H2,1-4H3;5-12H,1-4H3;4-11H,1-3H3;5-10H,1-4H3;3*3-10H,1-2H3;2*3-8H,1-2H3
• InChIKey: JUZRZOACQQVAIP-UHFFFAOYSA-N
• XLogP: 74.51
• TPSA: 211.69 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 274
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3758.13
LogP ≤ 5	74.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxa-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithia-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5-oxa-18-thiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;1-(16-heptanoyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaen-7-yl)heptan-1-one;5,6,17,18-tetramethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;5,6,17,18-tetramethyl-5,7,16,18-tetrazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17,18-trimethyl-5-thia-18-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;7-undecyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene?

The IUPAC name of 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxa-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithia-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5-oxa-18-thiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;1-(16-heptanoyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaen-7-yl)heptan-1-one;5,6,17,18-tetramethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;5,6,17,18-tetramethyl-5,7,16,18-tetrazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17,18-trimethyl-5-thia-18-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;7-undecyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene (CID 159032029) is 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxa-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithia-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5-oxa-18-thiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;1-(16-heptanoyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaen-7-yl)heptan-1-one;5,6,17,18-tetramethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;5,6,17,18-tetramethyl-5,7,16,18-tetrazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17,18-trimethyl-5-thia-18-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;7-undecyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene.

What is the SMILES notation for 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxa-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithia-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5-oxa-18-thiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;1-(16-heptanoyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaen-7-yl)heptan-1-one;5,6,17,18-tetramethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;5,6,17,18-tetramethyl-5,7,16,18-tetrazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17,18-trimethyl-5-thia-18-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;7-undecyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene?

The canonical SMILES for 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxa-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithia-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5-oxa-18-thiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;1-(16-heptanoyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaen-7-yl)heptan-1-one;5,6,17,18-tetramethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;5,6,17,18-tetramethyl-5,7,16,18-tetrazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17,18-trimethyl-5-thia-18-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;7-undecyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene is CCCCCCC(=O)c1cc2c(ccc3c2ccc2c4cc(C(=O)CCCCCC)sc4ccc23)s1.CCCCCCCCCCCc1cc2c(ccc3c2ccc2c4ccsc4ccc23)s1.CCn1c(C)cc2cc3ccc4cc5cc(C)n(CC)c5cc4c3cc21.Cc1cc2cc3ccc4cc5cc(C)n(C)c5cc4c3cc2n1C.Cc1cc2cc3ccc4cc5cc(C)n(C)c5cc4c3cc2s1.Cc1cc2cc3ccc4cc5cc(C)oc5cc4c3cc2o1.Cc1cc2cc3ccc4cc5cc(C)sc5cc4c3cc2o1.Cc1cc2cc3ccc4cc5cc(C)sc5cc4c3cc2s1.Cc1nc2cc3ccc4cc5nc(C)n(C)c5cc4c3cc2n1C.Cc1nc2cc3ccc4cc5nc(C)oc5cc4c3cc2o1.Cc1nc2cc3ccc4cc5nc(C)sc5cc4c3cc2s1.

What is the InChIKey of 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxa-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithia-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5-oxa-18-thiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;1-(16-heptanoyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaen-7-yl)heptan-1-one;5,6,17,18-tetramethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;5,6,17,18-tetramethyl-5,7,16,18-tetrazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17,18-trimethyl-5-thia-18-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;7-undecyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene?

The InChIKey is JUZRZOACQQVAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O2S2.C29H32S2.C24H24N2.C22H20N2.C21H17NS.C20H18N4.C20H14O2.C20H14OS.C20H14S2.C18H12N2O2.C18H12N2S2/c1-3-5-7-9-11-27(33)31-19-25-23-13-14-24-22(21(23)15-17-29(25)35-31)16-18-30-26(24)20-32(36-30)28(34)12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-21-20-27-25-13-12-24-22(23(25)15-17-29(27)31-21)14-16-28-26(24)18-19-30-28;1-5-25-15(3)9-19-11-17-7-8-18-12-20-10-16(4)26(6-2)24(20)14-22(18)21(17)13-23(19)25;1-13-7-17-9-15-5-6-16-10-18-8-14(2)24(4)22(18)12-20(16)19(15)11-21(17)23(13)3;1-12-6-16-8-14-4-5-15-9-17-7-13(2)23-21(17)11-19(15)18(14)10-20(16)22(12)3;1-11-21-17-7-13-5-6-14-8-18-20(24(4)12(2)22-18)10-16(14)15(13)9-19(17)23(11)3;3*1-11-5-15-7-13-3-4-14-8-16-6-12(2)22-20(16)10-18(14)17(13)9-19(15)21-11;2*1-9-19-15-5-11-3-4-12-6-16-18(22-10(2)20-16)8-14(12)13(11)7-17(15)21-9/h13-20H,3-12H2,1-2H3;12-20H,2-11H2,1H3;7-14H,5-6H2,1-4H3;5-12H,1-4H3;4-11H,1-3H3;5-10H,1-4H3;3*3-10H,1-2H3;2*3-8H,1-2H3.

What are the key properties of 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxa-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithia-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5-oxa-18-thiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;1-(16-heptanoyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaen-7-yl)heptan-1-one;5,6,17,18-tetramethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;5,6,17,18-tetramethyl-5,7,16,18-tetrazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17,18-trimethyl-5-thia-18-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;7-undecyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene?

5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxa-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithia-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5-oxa-18-thiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;1-(16-heptanoyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaen-7-yl)heptan-1-one;5,6,17,18-tetramethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;5,6,17,18-tetramethyl-5,7,16,18-tetrazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17,18-trimethyl-5-thia-18-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;7-undecyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene has a molecular weight of 3758.13 g/mol, XLogP of 74.51, 24 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxa-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithia-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5-oxa-18-thiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;1-(16-heptanoyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaen-7-yl)heptan-1-one;5,6,17,18-tetramethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;5,6,17,18-tetramethyl-5,7,16,18-tetrazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17,18-trimethyl-5-thia-18-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;7-undecyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene is sourced from PubChem (CID 159032029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).