4,6-bis(2-methoxyethyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;3-fluoro-5-[11-(5-fluoro-3-pyridinyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]pyridine;5-(1,1,2,2,3,3,3-heptafluoropropyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-(2,3,4,5,6-pentafluorophenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(4H-phenalen-2-yl)-11,17-di(propan-2-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;5-pyren-2-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yloxy)pyridine

C191H108B7F14N3O24 — CID 159821945

About 4,6-bis(2-methoxyethyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;3-fluoro-5-[11-(5-fluoro-3-pyridinyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]pyridine;5-(1,1,2,2,3,3,3-heptafluoropropyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-(2,3,4,5,6-pentafluorophenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(4H-phenalen-2-yl)-11,17-di(propan-2-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;5-pyren-2-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yloxy)pyridine

4,6-bis(2-methoxyethyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;3-fluoro-5-[11-(5-fluoro-3-pyridinyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]pyridine;5-(1,1,2,2,3,3,3-heptafluoropropyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-(2,3,4,5,6-pentafluorophenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(4H-phenalen-2-yl)-11,17-di(propan-2-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;5-pyren-2-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yloxy)pyridine (PubChem CID 159821945) has the molecular formula C191H108B7F14N3O24 and a molecular weight of 3170.62 g/mol. Its IUPAC name is 4,6-bis(2-methoxyethyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;3-fluoro-5-[11-(5-fluoro-3-pyridinyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]pyridine;5-(1,1,2,2,3,3,3-heptafluoropropyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-(2,3,4,5,6-pentafluorophenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(4H-phenalen-2-yl)-11,17-di(propan-2-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;5-pyren-2-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yloxy)pyridine.

Molecular Properties

• Compound Name: 4,6-bis(2-methoxyethyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;3-fluoro-5-[11-(5-fluoro-3-pyridinyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]pyridine;5-(1,1,2,2,3,3,3-heptafluoropropyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-(2,3,4,5,6-pentafluorophenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(4H-phenalen-2-yl)-11,17-di(propan-2-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;5-pyren-2-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yloxy)pyridine
• PubChem CID: 159821945
• Molecular Formula: C191H108B7F14N3O24
• Molecular Weight: 3170.62 g/mol
• Exact Mass: 3169.78
• IUPAC Name: 4,6-bis(2-methoxyethyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;3-fluoro-5-[11-(5-fluoro-3-pyridinyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]pyridine;5-(1,1,2,2,3,3,3-heptafluoropropyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-(2,3,4,5,6-pentafluorophenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(4H-phenalen-2-yl)-11,17-di(propan-2-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;5-pyren-2-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yloxy)pyridine
• SMILES: CC(C)c1cc2c3c(c1)Oc1ccc(-c4cc5c6c(cccc6c4)C=CC5)c4c1B3c1c(cc(C(C)C)cc1O4)O2.COCCc1cc(CCOC)c2c3c1Oc1cccc4c1B3c1c(cccc1O2)O4.FC(F)(F)C(F)(F)C(F)(F)c1cc2c3c(c1)Oc1cccc4c1B3c1c(cccc1O2)O4.Fc1c(F)c(F)c(-c2cc3c4c(c2)Oc2cccc5c2B4c2c(cccc2O3)O5)c(F)c1F.Fc1cncc(-c2cc3c4c(c2)Oc2cc(-c5cncc(F)c5)cc5c2B4c2c(cccc2O5)O3)c1.c1cc2c3c(c1)Oc1cc(-c4cc5ccc6cccc7ccc(c4)c5c67)cc4c1B3c1c(cccc1O4)O2.c1cc2c3c(c1)Oc1cc(Oc4ccncc4)cc4c1B3c1c(cccc1O4)O2
• InChI: InChI=1S/C37H29BO3.C34H17BO3.C28H13BF2N2O3.C24H8BF5O3.C24H21BO5.C23H12BNO4.C21H8BF7O3/c1-19(2)24-15-29-34-30(16-24)40-31-17-25(20(3)4)18-32-35(31)38(34)36-28(39-29)12-11-27(37(36)41-32)26-13-22-9-5-7-21-8-6-10-23(14-26)33(21)22;1-4-18-10-12-20-14-22(15-21-13-11-19(5-1)30(18)31(20)21)23-16-28-34-29(17-23)38-27-9-3-7-25-33(27)35(34)32-24(36-25)6-2-8-26(32)37-28;30-18-4-16(10-32-12-18)14-6-22-27-24(8-14)36-25-9-15(17-5-19(31)13-33-11-17)7-23-28(25)29(27)26-20(34-22)2-1-3-21(26)35-23;26-20-16(21(27)23(29)24(30)22(20)28)9-7-14-19-15(8-9)33-13-6-2-4-11-18(13)25(19)17-10(31-11)3-1-5-12(17)32-14;1-26-11-9-14-13-15(10-12-27-2)24-22-23(14)29-18-7-3-5-16-20(18)25(22)21-17(28-16)6-4-8-19(21)30-24;1-3-15-21-17(5-1)28-19-11-14(26-13-7-9-25-10-8-13)12-20-23(19)24(21)22-16(27-15)4-2-6-18(22)29-20;23-19(24,20(25,26)21(27,28)29)9-7-14-18-15(8-9)32-13-6-2-4-11-17(13)22(18)16-10(30-11)3-1-5-12(16)31-14/h5-9,11-20H,10H2,1-4H3;1-17H;1-13H;1-8H;3-8,13H,9-12H2,1-2H3;1-12H;1-8H
• InChIKey: NMIUXFIQGNMLKP-UHFFFAOYSA-N
• XLogP: 36.46
• TPSA: 260.19 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3170.62
LogP ≤ 5	36.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2-methoxyethyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;3-fluoro-5-[11-(5-fluoro-3-pyridinyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]pyridine;5-(1,1,2,2,3,3,3-heptafluoropropyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-(2,3,4,5,6-pentafluorophenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(4H-phenalen-2-yl)-11,17-di(propan-2-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;5-pyren-2-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yloxy)pyridine?

The IUPAC name of 4,6-bis(2-methoxyethyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;3-fluoro-5-[11-(5-fluoro-3-pyridinyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]pyridine;5-(1,1,2,2,3,3,3-heptafluoropropyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-(2,3,4,5,6-pentafluorophenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(4H-phenalen-2-yl)-11,17-di(propan-2-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;5-pyren-2-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yloxy)pyridine (CID 159821945) is 4,6-bis(2-methoxyethyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;3-fluoro-5-[11-(5-fluoro-3-pyridinyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]pyridine;5-(1,1,2,2,3,3,3-heptafluoropropyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-(2,3,4,5,6-pentafluorophenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(4H-phenalen-2-yl)-11,17-di(propan-2-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;5-pyren-2-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yloxy)pyridine.

What is the SMILES notation for 4,6-bis(2-methoxyethyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;3-fluoro-5-[11-(5-fluoro-3-pyridinyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]pyridine;5-(1,1,2,2,3,3,3-heptafluoropropyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-(2,3,4,5,6-pentafluorophenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(4H-phenalen-2-yl)-11,17-di(propan-2-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;5-pyren-2-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yloxy)pyridine?

The canonical SMILES for 4,6-bis(2-methoxyethyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;3-fluoro-5-[11-(5-fluoro-3-pyridinyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]pyridine;5-(1,1,2,2,3,3,3-heptafluoropropyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-(2,3,4,5,6-pentafluorophenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(4H-phenalen-2-yl)-11,17-di(propan-2-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;5-pyren-2-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yloxy)pyridine is CC(C)c1cc2c3c(c1)Oc1ccc(-c4cc5c6c(cccc6c4)C=CC5)c4c1B3c1c(cc(C(C)C)cc1O4)O2.COCCc1cc(CCOC)c2c3c1Oc1cccc4c1B3c1c(cccc1O2)O4.FC(F)(F)C(F)(F)C(F)(F)c1cc2c3c(c1)Oc1cccc4c1B3c1c(cccc1O2)O4.Fc1c(F)c(F)c(-c2cc3c4c(c2)Oc2cccc5c2B4c2c(cccc2O3)O5)c(F)c1F.Fc1cncc(-c2cc3c4c(c2)Oc2cc(-c5cncc(F)c5)cc5c2B4c2c(cccc2O5)O3)c1.c1cc2c3c(c1)Oc1cc(-c4cc5ccc6cccc7ccc(c4)c5c67)cc4c1B3c1c(cccc1O4)O2.c1cc2c3c(c1)Oc1cc(Oc4ccncc4)cc4c1B3c1c(cccc1O4)O2.

What is the InChIKey of 4,6-bis(2-methoxyethyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;3-fluoro-5-[11-(5-fluoro-3-pyridinyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]pyridine;5-(1,1,2,2,3,3,3-heptafluoropropyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-(2,3,4,5,6-pentafluorophenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(4H-phenalen-2-yl)-11,17-di(propan-2-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;5-pyren-2-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yloxy)pyridine?

The InChIKey is NMIUXFIQGNMLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29BO3.C34H17BO3.C28H13BF2N2O3.C24H8BF5O3.C24H21BO5.C23H12BNO4.C21H8BF7O3/c1-19(2)24-15-29-34-30(16-24)40-31-17-25(20(3)4)18-32-35(31)38(34)36-28(39-29)12-11-27(37(36)41-32)26-13-22-9-5-7-21-8-6-10-23(14-26)33(21)22;1-4-18-10-12-20-14-22(15-21-13-11-19(5-1)30(18)31(20)21)23-16-28-34-29(17-23)38-27-9-3-7-25-33(27)35(34)32-24(36-25)6-2-8-26(32)37-28;30-18-4-16(10-32-12-18)14-6-22-27-24(8-14)36-25-9-15(17-5-19(31)13-33-11-17)7-23-28(25)29(27)26-20(34-22)2-1-3-21(26)35-23;26-20-16(21(27)23(29)24(30)22(20)28)9-7-14-19-15(8-9)33-13-6-2-4-11-18(13)25(19)17-10(31-11)3-1-5-12(17)32-14;1-26-11-9-14-13-15(10-12-27-2)24-22-23(14)29-18-7-3-5-16-20(18)25(22)21-17(28-16)6-4-8-19(21)30-24;1-3-15-21-17(5-1)28-19-11-14(26-13-7-9-25-10-8-13)12-20-23(19)24(21)22-16(27-15)4-2-6-18(22)29-20;23-19(24,20(25,26)21(27,28)29)9-7-14-18-15(8-9)32-13-6-2-4-11-17(13)22(18)16-10(30-11)3-1-5-12(16)31-14/h5-9,11-20H,10H2,1-4H3;1-17H;1-13H;1-8H;3-8,13H,9-12H2,1-2H3;1-12H;1-8H.

What are the key properties of 4,6-bis(2-methoxyethyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;3-fluoro-5-[11-(5-fluoro-3-pyridinyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]pyridine;5-(1,1,2,2,3,3,3-heptafluoropropyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-(2,3,4,5,6-pentafluorophenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(4H-phenalen-2-yl)-11,17-di(propan-2-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;5-pyren-2-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yloxy)pyridine?

4,6-bis(2-methoxyethyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;3-fluoro-5-[11-(5-fluoro-3-pyridinyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]pyridine;5-(1,1,2,2,3,3,3-heptafluoropropyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-(2,3,4,5,6-pentafluorophenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(4H-phenalen-2-yl)-11,17-di(propan-2-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;5-pyren-2-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yloxy)pyridine has a molecular weight of 3170.62 g/mol, XLogP of 36.46, 17 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-bis(2-methoxyethyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;3-fluoro-5-[11-(5-fluoro-3-pyridinyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]pyridine;5-(1,1,2,2,3,3,3-heptafluoropropyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;5-(2,3,4,5,6-pentafluorophenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(4H-phenalen-2-yl)-11,17-di(propan-2-yl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;5-pyren-2-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;4-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yloxy)pyridine is sourced from PubChem (CID 159821945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).