7,16-bis(5-hexylfuran-2-yl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-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;6,17-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7,16-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-dimethyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(4-heptoxyphenyl)-16-(4-methylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;2-hexyl-5-[16-(5-hexylfuran-2-yl)-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]furan

C286H298N6O15S4 — CID 158587923

About 7,16-bis(5-hexylfuran-2-yl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-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;6,17-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7,16-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-dimethyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(4-heptoxyphenyl)-16-(4-methylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;2-hexyl-5-[16-(5-hexylfuran-2-yl)-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]furan

7,16-bis(5-hexylfuran-2-yl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-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;6,17-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7,16-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-dimethyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(4-heptoxyphenyl)-16-(4-methylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;2-hexyl-5-[16-(5-hexylfuran-2-yl)-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]furan (PubChem CID 158587923) has the molecular formula C286H298N6O15S4 and a molecular weight of 4187.82 g/mol. Its IUPAC name is 7,16-bis(5-hexylfuran-2-yl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-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;6,17-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7,16-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-dimethyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(4-heptoxyphenyl)-16-(4-methylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;2-hexyl-5-[16-(5-hexylfuran-2-yl)-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]furan.

Molecular Properties

• Compound Name: 7,16-bis(5-hexylfuran-2-yl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-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;6,17-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7,16-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-dimethyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(4-heptoxyphenyl)-16-(4-methylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;2-hexyl-5-[16-(5-hexylfuran-2-yl)-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]furan
• PubChem CID: 158587923
• Molecular Formula: C286H298N6O15S4
• Molecular Weight: 4187.82 g/mol
• Exact Mass: 4184.16
• IUPAC Name: 7,16-bis(5-hexylfuran-2-yl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-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;6,17-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7,16-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-dimethyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(4-heptoxyphenyl)-16-(4-methylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;2-hexyl-5-[16-(5-hexylfuran-2-yl)-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]furan
• SMILES: CCCCCCCOc1ccc(-c2cc3c(ccc4c3ccc3c5cc(-c6ccc(C)c(C)c6)oc5ccc34)o2)cc1OCCCCCCC.CCCCCCCOc1ccc(-c2cc3c(ccc4c3ccc3c5cc(-c6ccc(C)c(C)c6)sc5ccc34)s2)cc1OCCCCCCC.CCCCCCCOc1ccc(-c2cc3c(ccc4c3ccc3c5cc(-c6ccc(C)cc6)oc5ccc34)o2)cc1.CCCCCCc1cc2c(ccc3c2ccc2c4cc(CCCCCC)[nH]c4ccc23)[nH]1.CCCCCCc1ccc(-c2cc3c(ccc4c3ccc3c5cc(-c6ccc(CCCCCC)o6)oc5ccc34)o2)o1.CCCCCCc1ccc(-c2cc3c(ccc4c3ccc3c5cc(-c6ccc(CCCCCC)o6)sc5ccc34)s2)o1.CCCCCCn1ccc2c3ccc4c(ccc5c4ccn5CCCCCC)c3ccc21.Cn1ccc2c3ccc4c(ccc5c4ccn5C)c3ccc21
• InChI: InChI=1S/C46H50O4.C46H50O2S2.C38H38O4.C38H34O3.C38H38O2S2.2C30H36N2.C20H16N2/c1-5-7-9-11-13-25-47-43-22-17-34(28-46(43)48-26-14-12-10-8-6-2)45-30-40-38-19-18-37-35(36(38)21-24-42(40)50-45)20-23-41-39(37)29-44(49-41)33-16-15-31(3)32(4)27-33;1-5-7-9-11-13-25-47-41-22-17-34(28-42(41)48-26-14-12-10-8-6-2)46-30-40-38-19-18-37-35(36(38)21-24-44(40)50-46)20-23-43-39(37)29-45(49-43)33-16-15-31(3)32(4)27-33;1-3-5-7-9-11-25-13-19-35(39-25)37-23-31-29-15-16-30-28(27(29)17-21-33(31)41-37)18-22-34-32(30)24-38(42-34)36-20-14-26(40-36)12-10-8-6-4-2;1-3-4-5-6-7-22-39-28-14-12-27(13-15-28)38-24-34-32-17-16-31-29(30(32)19-21-36(34)41-38)18-20-35-33(31)23-37(40-35)26-10-8-25(2)9-11-26;1-3-5-7-9-11-25-13-19-33(39-25)37-23-31-29-15-16-30-28(27(29)17-21-35(31)41-37)18-22-36-32(30)24-38(42-36)34-20-14-26(40-34)12-10-8-6-4-2;1-3-5-7-9-19-31-21-17-27-25-11-12-26-24(23(25)13-15-29(27)31)14-16-30-28(26)18-22-32(30)20-10-8-6-4-2;1-3-5-7-9-11-21-19-27-25-13-14-26-24(23(25)15-17-29(27)31-21)16-18-30-28(26)20-22(32-30)12-10-8-6-4-2;1-21-11-9-17-15-3-4-16-14(13(15)5-7-19(17)21)6-8-20-18(16)10-12-22(20)2/h2*15-24,27-30H,5-14,25-26H2,1-4H3;13-24H,3-12H2,1-2H3;8-21,23-24H,3-7,22H2,1-2H3;13-24H,3-12H2,1-2H3;11-18,21-22H,3-10,19-20H2,1-2H3;13-20,31-32H,3-12H2,1-2H3;3-12H,1-2H3
• InChIKey: HUBGAQULPMKIAA-UHFFFAOYSA-N
• XLogP: 89.36
• TPSA: 228.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 85
• Heavy Atoms: 311
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4187.82
LogP ≤ 5	89.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

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 7,16-bis(5-hexylfuran-2-yl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-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;6,17-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7,16-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-dimethyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(4-heptoxyphenyl)-16-(4-methylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;2-hexyl-5-[16-(5-hexylfuran-2-yl)-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]furan?

The IUPAC name of 7,16-bis(5-hexylfuran-2-yl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-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;6,17-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7,16-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-dimethyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(4-heptoxyphenyl)-16-(4-methylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;2-hexyl-5-[16-(5-hexylfuran-2-yl)-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]furan (CID 158587923) is 7,16-bis(5-hexylfuran-2-yl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-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;6,17-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7,16-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-dimethyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(4-heptoxyphenyl)-16-(4-methylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;2-hexyl-5-[16-(5-hexylfuran-2-yl)-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]furan.

What is the SMILES notation for 7,16-bis(5-hexylfuran-2-yl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-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;6,17-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7,16-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-dimethyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(4-heptoxyphenyl)-16-(4-methylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;2-hexyl-5-[16-(5-hexylfuran-2-yl)-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]furan?

The canonical SMILES for 7,16-bis(5-hexylfuran-2-yl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-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;6,17-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7,16-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-dimethyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(4-heptoxyphenyl)-16-(4-methylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;2-hexyl-5-[16-(5-hexylfuran-2-yl)-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]furan is CCCCCCCOc1ccc(-c2cc3c(ccc4c3ccc3c5cc(-c6ccc(C)c(C)c6)oc5ccc34)o2)cc1OCCCCCCC.CCCCCCCOc1ccc(-c2cc3c(ccc4c3ccc3c5cc(-c6ccc(C)c(C)c6)sc5ccc34)s2)cc1OCCCCCCC.CCCCCCCOc1ccc(-c2cc3c(ccc4c3ccc3c5cc(-c6ccc(C)cc6)oc5ccc34)o2)cc1.CCCCCCc1cc2c(ccc3c2ccc2c4cc(CCCCCC)[nH]c4ccc23)[nH]1.CCCCCCc1ccc(-c2cc3c(ccc4c3ccc3c5cc(-c6ccc(CCCCCC)o6)oc5ccc34)o2)o1.CCCCCCc1ccc(-c2cc3c(ccc4c3ccc3c5cc(-c6ccc(CCCCCC)o6)sc5ccc34)s2)o1.CCCCCCn1ccc2c3ccc4c(ccc5c4ccn5CCCCCC)c3ccc21.Cn1ccc2c3ccc4c(ccc5c4ccn5C)c3ccc21.

What is the InChIKey of 7,16-bis(5-hexylfuran-2-yl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-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;6,17-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7,16-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-dimethyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(4-heptoxyphenyl)-16-(4-methylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;2-hexyl-5-[16-(5-hexylfuran-2-yl)-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]furan?

The InChIKey is HUBGAQULPMKIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H50O4.C46H50O2S2.C38H38O4.C38H34O3.C38H38O2S2.2C30H36N2.C20H16N2/c1-5-7-9-11-13-25-47-43-22-17-34(28-46(43)48-26-14-12-10-8-6-2)45-30-40-38-19-18-37-35(36(38)21-24-42(40)50-45)20-23-41-39(37)29-44(49-41)33-16-15-31(3)32(4)27-33;1-5-7-9-11-13-25-47-41-22-17-34(28-42(41)48-26-14-12-10-8-6-2)46-30-40-38-19-18-37-35(36(38)21-24-44(40)50-46)20-23-43-39(37)29-45(49-43)33-16-15-31(3)32(4)27-33;1-3-5-7-9-11-25-13-19-35(39-25)37-23-31-29-15-16-30-28(27(29)17-21-33(31)41-37)18-22-34-32(30)24-38(42-34)36-20-14-26(40-36)12-10-8-6-4-2;1-3-4-5-6-7-22-39-28-14-12-27(13-15-28)38-24-34-32-17-16-31-29(30(32)19-21-36(34)41-38)18-20-35-33(31)23-37(40-35)26-10-8-25(2)9-11-26;1-3-5-7-9-11-25-13-19-33(39-25)37-23-31-29-15-16-30-28(27(29)17-21-35(31)41-37)18-22-36-32(30)24-38(42-36)34-20-14-26(40-34)12-10-8-6-4-2;1-3-5-7-9-19-31-21-17-27-25-11-12-26-24(23(25)13-15-29(27)31)14-16-30-28(26)18-22-32(30)20-10-8-6-4-2;1-3-5-7-9-11-21-19-27-25-13-14-26-24(23(25)15-17-29(27)31-21)16-18-30-28(26)20-22(32-30)12-10-8-6-4-2;1-21-11-9-17-15-3-4-16-14(13(15)5-7-19(17)21)6-8-20-18(16)10-12-22(20)2/h2*15-24,27-30H,5-14,25-26H2,1-4H3;13-24H,3-12H2,1-2H3;8-21,23-24H,3-7,22H2,1-2H3;13-24H,3-12H2,1-2H3;11-18,21-22H,3-10,19-20H2,1-2H3;13-20,31-32H,3-12H2,1-2H3;3-12H,1-2H3.

What are the key properties of 7,16-bis(5-hexylfuran-2-yl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-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;6,17-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7,16-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-dimethyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(4-heptoxyphenyl)-16-(4-methylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;2-hexyl-5-[16-(5-hexylfuran-2-yl)-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]furan?

7,16-bis(5-hexylfuran-2-yl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-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;6,17-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7,16-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-dimethyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(4-heptoxyphenyl)-16-(4-methylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;2-hexyl-5-[16-(5-hexylfuran-2-yl)-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]furan has a molecular weight of 4187.82 g/mol, XLogP of 89.36, 85 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7,16-bis(5-hexylfuran-2-yl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(3,4-diheptoxyphenyl)-16-(3,4-dimethylphenyl)-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;6,17-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7,16-dihexyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-dimethyl-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;7-(4-heptoxyphenyl)-16-(4-methylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;2-hexyl-5-[16-(5-hexylfuran-2-yl)-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]furan is sourced from PubChem (CID 158587923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).