12-methyl-12-pyridin-2-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-3-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-4-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-2-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-3-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone

C138H57F9N6O42 — CID 161208970

About 12-methyl-12-pyridin-2-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-3-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-4-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-2-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-3-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone

12-methyl-12-pyridin-2-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-3-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-4-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-2-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-3-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone (PubChem CID 161208970) has the molecular formula C138H57F9N6O42 and a molecular weight of 2641.96 g/mol. Its IUPAC name is 12-methyl-12-pyridin-2-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-3-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-4-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-2-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-3-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone.

Molecular Properties

• Compound Name: 12-methyl-12-pyridin-2-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-3-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-4-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-2-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-3-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone
• PubChem CID: 161208970
• Molecular Formula: C138H57F9N6O42
• Molecular Weight: 2641.96 g/mol
• Exact Mass: 2640.24
• IUPAC Name: 12-methyl-12-pyridin-2-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-3-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-4-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-2-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-3-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone
• SMILES: CC1(c2ccccn2)c2cc3c(cc2Oc2cc4c(cc21)C(=O)OC4=O)C(=O)OC3=O.CC1(c2cccnc2)c2cc3c(cc2Oc2cc4c(cc21)C(=O)OC4=O)C(=O)OC3=O.CC1(c2ccncc2)c2cc3c(cc2Oc2cc4c(cc21)C(=O)OC4=O)C(=O)OC3=O.O=C1OC(=O)c2cc3c(cc21)Oc1cc2c(cc1C3(c1ccccn1)C(F)(F)F)C(=O)OC2=O.O=C1OC(=O)c2cc3c(cc21)Oc1cc2c(cc1C3(c1cccnc1)C(F)(F)F)C(=O)OC2=O.O=C1OC(=O)c2cc3c(cc21)Oc1cc2c(cc1C3(c1ccncc1)C(F)(F)F)C(=O)OC2=O
• InChI: InChI=1S/3C23H8F3NO7.3C23H11NO7/c24-23(25,26)22(9-1-3-27-4-2-9)14-5-10-12(20(30)33-18(10)28)7-16(14)32-17-8-13-11(6-15(17)22)19(29)34-21(13)31;24-23(25,26)22(9-2-1-3-27-8-9)14-4-10-12(20(30)33-18(10)28)6-16(14)32-17-7-13-11(5-15(17)22)19(29)34-21(13)31;24-23(25,26)22(17-3-1-2-4-27-17)13-5-9-11(20(30)33-18(9)28)7-15(13)32-16-8-12-10(6-14(16)22)19(29)34-21(12)31;1-23(10-2-4-24-5-3-10)15-6-11-13(21(27)30-19(11)25)8-17(15)29-18-9-14-12(7-16(18)23)20(26)31-22(14)28;1-23(10-3-2-4-24-9-10)15-5-11-13(21(27)30-19(11)25)7-17(15)29-18-8-14-12(6-16(18)23)20(26)31-22(14)28;1-23(18-4-2-3-5-24-18)14-6-10-12(21(27)30-19(10)25)8-16(14)29-17-9-13-11(7-15(17)23)20(26)31-22(13)28/h3*1-8H;3*2-9H,1H3
• InChIKey: UVZDCVNXMCBDFO-UHFFFAOYSA-N
• XLogP: 20.60
• TPSA: 653.16 Ų
• H-Bond Acceptors: 48
• Rotatable Bonds: 6
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2641.96
LogP ≤ 5	20.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-methyl-12-pyridin-2-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-3-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-4-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-2-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-3-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone?

The IUPAC name of 12-methyl-12-pyridin-2-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-3-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-4-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-2-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-3-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone (CID 161208970) is 12-methyl-12-pyridin-2-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-3-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-4-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-2-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-3-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone.

What is the SMILES notation for 12-methyl-12-pyridin-2-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-3-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-4-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-2-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-3-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone?

The canonical SMILES for 12-methyl-12-pyridin-2-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-3-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-4-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-2-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-3-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone is CC1(c2ccccn2)c2cc3c(cc2Oc2cc4c(cc21)C(=O)OC4=O)C(=O)OC3=O.CC1(c2cccnc2)c2cc3c(cc2Oc2cc4c(cc21)C(=O)OC4=O)C(=O)OC3=O.CC1(c2ccncc2)c2cc3c(cc2Oc2cc4c(cc21)C(=O)OC4=O)C(=O)OC3=O.O=C1OC(=O)c2cc3c(cc21)Oc1cc2c(cc1C3(c1ccccn1)C(F)(F)F)C(=O)OC2=O.O=C1OC(=O)c2cc3c(cc21)Oc1cc2c(cc1C3(c1cccnc1)C(F)(F)F)C(=O)OC2=O.O=C1OC(=O)c2cc3c(cc21)Oc1cc2c(cc1C3(c1ccncc1)C(F)(F)F)C(=O)OC2=O.

What is the InChIKey of 12-methyl-12-pyridin-2-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-3-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-4-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-2-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-3-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone?

The InChIKey is UVZDCVNXMCBDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H8F3NO7.3C23H11NO7/c24-23(25,26)22(9-1-3-27-4-2-9)14-5-10-12(20(30)33-18(10)28)7-16(14)32-17-8-13-11(6-15(17)22)19(29)34-21(13)31;24-23(25,26)22(9-2-1-3-27-8-9)14-4-10-12(20(30)33-18(10)28)6-16(14)32-17-7-13-11(5-15(17)22)19(29)34-21(13)31;24-23(25,26)22(17-3-1-2-4-27-17)13-5-9-11(20(30)33-18(9)28)7-15(13)32-16-8-12-10(6-14(16)22)19(29)34-21(12)31;1-23(10-2-4-24-5-3-10)15-6-11-13(21(27)30-19(11)25)8-17(15)29-18-9-14-12(7-16(18)23)20(26)31-22(14)28;1-23(10-3-2-4-24-9-10)15-5-11-13(21(27)30-19(11)25)7-17(15)29-18-8-14-12(6-16(18)23)20(26)31-22(14)28;1-23(18-4-2-3-5-24-18)14-6-10-12(21(27)30-19(10)25)8-16(14)29-17-9-13-11(7-15(17)23)20(26)31-22(13)28/h3*1-8H;3*2-9H,1H3.

What are the key properties of 12-methyl-12-pyridin-2-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-3-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-4-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-2-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-3-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone?

12-methyl-12-pyridin-2-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-3-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-4-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-2-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-3-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone has a molecular weight of 2641.96 g/mol, XLogP of 20.60, 6 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 12-methyl-12-pyridin-2-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-3-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-4-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-2-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-3-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone is sourced from PubChem (CID 161208970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).