23-[5-(3,5-diphenylphenyl)-3-pyridinyl]-9-oxa-23-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-[6-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;18-[5-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-[5-(4,6-diphenylpyrimidin-2-yl)-3-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;3-[5-(4,6-dipyridin-3-yl-2-pyridinyl)-3-pyridinyl]-16-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[5-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidin-2-yl]-22-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

C347H211N29O8 — CID 157071424

About 23-[5-(3,5-diphenylphenyl)-3-pyridinyl]-9-oxa-23-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-[6-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;18-[5-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-[5-(4,6-diphenylpyrimidin-2-yl)-3-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;3-[5-(4,6-dipyridin-3-yl-2-pyridinyl)-3-pyridinyl]-16-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[5-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidin-2-yl]-22-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

23-[5-(3,5-diphenylphenyl)-3-pyridinyl]-9-oxa-23-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-[6-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;18-[5-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-[5-(4,6-diphenylpyrimidin-2-yl)-3-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;3-[5-(4,6-dipyridin-3-yl-2-pyridinyl)-3-pyridinyl]-16-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[5-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidin-2-yl]-22-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene (PubChem CID 157071424) has the molecular formula C347H211N29O8 and a molecular weight of 4914.70 g/mol. Its IUPAC name is 23-[5-(3,5-diphenylphenyl)-3-pyridinyl]-9-oxa-23-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-[6-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;18-[5-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-[5-(4,6-diphenylpyrimidin-2-yl)-3-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;3-[5-(4,6-dipyridin-3-yl-2-pyridinyl)-3-pyridinyl]-16-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[5-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidin-2-yl]-22-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene.

Molecular Properties

• Compound Name: 23-[5-(3,5-diphenylphenyl)-3-pyridinyl]-9-oxa-23-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-[6-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;18-[5-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-[5-(4,6-diphenylpyrimidin-2-yl)-3-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;3-[5-(4,6-dipyridin-3-yl-2-pyridinyl)-3-pyridinyl]-16-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[5-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidin-2-yl]-22-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
• PubChem CID: 157071424
• Molecular Formula: C347H211N29O8
• Molecular Weight: 4914.70 g/mol
• Exact Mass: 4910.70
• IUPAC Name: 23-[5-(3,5-diphenylphenyl)-3-pyridinyl]-9-oxa-23-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-[6-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;18-[5-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-[5-(4,6-diphenylpyrimidin-2-yl)-3-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;3-[5-(4,6-dipyridin-3-yl-2-pyridinyl)-3-pyridinyl]-16-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[5-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidin-2-yl]-22-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cnc(-n4c5ccccc5c5ccc6c(ccc7oc8ccccc8c76)c54)nc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cnc(-n4c5ccccc5c5ccc6c(oc7ccc8ccccc8c76)c54)nc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cncc(-n4c5ccccc5c5ccc6ccc7oc8ccccc8c7c6c54)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cnc(-n4c5ccccc5c5c6c7ccccc7oc6c6ccccc6c54)cn3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cncc(-n4c5ccccc5c5c6oc7ccccc7c6c6ccccc6c54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cncc(-n4c5ccccc5c5ccc6c(ccc7c8ccccc8oc76)c54)n3)c2)cc1.c1ccc(-c2cc(-c3ccncc3)cc(-c3cnc(-n4c5ccccc5c5ccc6cc7c(cc6c54)oc4ccccc47)nc3)c2)cc1.c1cncc(-c2cc(-c3cccnc3)nc(-c3cncc(-n4c5ccccc5c5ccc6cc7oc8ccccc8c7cc6c54)c3)c2)c1
• InChI: InChI=1S/C45H28N2O.2C44H27N3O.4C43H26N4O.C42H25N5O/c1-3-11-29(12-4-1)32-23-33(30-13-5-2-6-14-30)25-34(24-32)35-26-36(28-46-27-35)47-40-17-9-7-15-37(40)38-21-19-31-20-22-42-44(43(31)45(38)47)39-16-8-10-18-41(39)48-42;1-3-11-28(12-4-1)30-23-31(29-13-5-2-6-14-29)25-32(24-30)33-26-45-44(46-27-33)47-39-17-9-7-15-34(39)36-20-19-35-37(43(36)47)21-22-41-42(35)38-16-8-10-18-40(38)48-41;1-3-11-28(12-4-1)31-23-32(29-13-5-2-6-14-29)25-33(24-31)34-26-45-44(46-27-34)47-39-18-10-9-17-36(39)37-20-21-38-41-35-16-8-7-15-30(35)19-22-40(41)48-43(38)42(37)47;1-3-11-27(12-4-1)29-23-36(28-13-5-2-6-14-28)45-37(24-29)38-25-44-26-41(46-38)47-39-17-9-7-15-30(39)32-19-22-35-33(42(32)47)20-21-34-31-16-8-10-18-40(31)48-43(34)35;1-3-13-27(14-4-1)35-24-36(28-15-5-2-6-16-28)46-43(45-35)29-23-30(26-44-25-29)47-37-21-11-9-19-33(37)40-41(47)32-18-8-7-17-31(32)39-34-20-10-12-22-38(34)48-42(39)40;1-3-13-27(14-4-1)29-23-34(28-15-5-2-6-16-28)46-35(24-29)36-25-45-39(26-44-36)47-37-21-11-9-19-32(37)40-41-33-20-10-12-22-38(33)48-43(41)31-18-8-7-17-30(31)42(40)47;1-2-8-27(9-3-1)30-20-31(28-16-18-44-19-17-28)22-32(21-30)33-25-45-43(46-26-33)47-39-12-6-4-10-34(39)36-15-14-29-23-38-35-11-5-7-13-40(35)48-41(38)24-37(29)42(36)47;1-3-11-39-32(9-1)34-14-13-26-20-41-36(33-10-2-4-12-40(33)48-41)21-35(26)42(34)47(39)31-17-30(24-45-25-31)38-19-29(27-7-5-15-43-22-27)18-37(46-38)28-8-6-16-44-23-28/h1-28H;2*1-27H;4*1-26H;1-25H
• InChIKey: ACMBJTKLVWNUEE-UHFFFAOYSA-N
• XLogP: 89.99
• TPSA: 415.25 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 384
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4914.70
LogP ≤ 5	89.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 23-[5-(3,5-diphenylphenyl)-3-pyridinyl]-9-oxa-23-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-[6-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;18-[5-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-[5-(4,6-diphenylpyrimidin-2-yl)-3-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;3-[5-(4,6-dipyridin-3-yl-2-pyridinyl)-3-pyridinyl]-16-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[5-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidin-2-yl]-22-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene?

The IUPAC name of 23-[5-(3,5-diphenylphenyl)-3-pyridinyl]-9-oxa-23-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-[6-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;18-[5-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-[5-(4,6-diphenylpyrimidin-2-yl)-3-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;3-[5-(4,6-dipyridin-3-yl-2-pyridinyl)-3-pyridinyl]-16-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[5-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidin-2-yl]-22-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene (CID 157071424) is 23-[5-(3,5-diphenylphenyl)-3-pyridinyl]-9-oxa-23-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-[6-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;18-[5-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-[5-(4,6-diphenylpyrimidin-2-yl)-3-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;3-[5-(4,6-dipyridin-3-yl-2-pyridinyl)-3-pyridinyl]-16-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[5-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidin-2-yl]-22-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene.

What is the SMILES notation for 23-[5-(3,5-diphenylphenyl)-3-pyridinyl]-9-oxa-23-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-[6-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;18-[5-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-[5-(4,6-diphenylpyrimidin-2-yl)-3-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;3-[5-(4,6-dipyridin-3-yl-2-pyridinyl)-3-pyridinyl]-16-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[5-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidin-2-yl]-22-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene?

The canonical SMILES for 23-[5-(3,5-diphenylphenyl)-3-pyridinyl]-9-oxa-23-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-[6-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;18-[5-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-[5-(4,6-diphenylpyrimidin-2-yl)-3-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;3-[5-(4,6-dipyridin-3-yl-2-pyridinyl)-3-pyridinyl]-16-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[5-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidin-2-yl]-22-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3cnc(-n4c5ccccc5c5ccc6c(ccc7oc8ccccc8c76)c54)nc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cnc(-n4c5ccccc5c5ccc6c(oc7ccc8ccccc8c76)c54)nc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cncc(-n4c5ccccc5c5ccc6ccc7oc8ccccc8c7c6c54)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cnc(-n4c5ccccc5c5c6c7ccccc7oc6c6ccccc6c54)cn3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cncc(-n4c5ccccc5c5c6oc7ccccc7c6c6ccccc6c54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cncc(-n4c5ccccc5c5ccc6c(ccc7c8ccccc8oc76)c54)n3)c2)cc1.c1ccc(-c2cc(-c3ccncc3)cc(-c3cnc(-n4c5ccccc5c5ccc6cc7c(cc6c54)oc4ccccc47)nc3)c2)cc1.c1cncc(-c2cc(-c3cccnc3)nc(-c3cncc(-n4c5ccccc5c5ccc6cc7oc8ccccc8c7cc6c54)c3)c2)c1.

What is the InChIKey of 23-[5-(3,5-diphenylphenyl)-3-pyridinyl]-9-oxa-23-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-[6-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;18-[5-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-[5-(4,6-diphenylpyrimidin-2-yl)-3-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;3-[5-(4,6-dipyridin-3-yl-2-pyridinyl)-3-pyridinyl]-16-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[5-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidin-2-yl]-22-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene?

The InChIKey is ACMBJTKLVWNUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O.2C44H27N3O.4C43H26N4O.C42H25N5O/c1-3-11-29(12-4-1)32-23-33(30-13-5-2-6-14-30)25-34(24-32)35-26-36(28-46-27-35)47-40-17-9-7-15-37(40)38-21-19-31-20-22-42-44(43(31)45(38)47)39-16-8-10-18-41(39)48-42;1-3-11-28(12-4-1)30-23-31(29-13-5-2-6-14-29)25-32(24-30)33-26-45-44(46-27-33)47-39-17-9-7-15-34(39)36-20-19-35-37(43(36)47)21-22-41-42(35)38-16-8-10-18-40(38)48-41;1-3-11-28(12-4-1)31-23-32(29-13-5-2-6-14-29)25-33(24-31)34-26-45-44(46-27-34)47-39-18-10-9-17-36(39)37-20-21-38-41-35-16-8-7-15-30(35)19-22-40(41)48-43(38)42(37)47;1-3-11-27(12-4-1)29-23-36(28-13-5-2-6-14-28)45-37(24-29)38-25-44-26-41(46-38)47-39-17-9-7-15-30(39)32-19-22-35-33(42(32)47)20-21-34-31-16-8-10-18-40(31)48-43(34)35;1-3-13-27(14-4-1)35-24-36(28-15-5-2-6-16-28)46-43(45-35)29-23-30(26-44-25-29)47-37-21-11-9-19-33(37)40-41(47)32-18-8-7-17-31(32)39-34-20-10-12-22-38(34)48-42(39)40;1-3-13-27(14-4-1)29-23-34(28-15-5-2-6-16-28)46-35(24-29)36-25-45-39(26-44-36)47-37-21-11-9-19-32(37)40-41-33-20-10-12-22-38(33)48-43(41)31-18-8-7-17-30(31)42(40)47;1-2-8-27(9-3-1)30-20-31(28-16-18-44-19-17-28)22-32(21-30)33-25-45-43(46-26-33)47-39-12-6-4-10-34(39)36-15-14-29-23-38-35-11-5-7-13-40(35)48-41(38)24-37(29)42(36)47;1-3-11-39-32(9-1)34-14-13-26-20-41-36(33-10-2-4-12-40(33)48-41)21-35(26)42(34)47(39)31-17-30(24-45-25-31)38-19-29(27-7-5-15-43-22-27)18-37(46-38)28-8-6-16-44-23-28/h1-28H;2*1-27H;4*1-26H;1-25H.

What are the key properties of 23-[5-(3,5-diphenylphenyl)-3-pyridinyl]-9-oxa-23-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-[6-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;18-[5-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-[5-(4,6-diphenylpyrimidin-2-yl)-3-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;3-[5-(4,6-dipyridin-3-yl-2-pyridinyl)-3-pyridinyl]-16-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[5-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidin-2-yl]-22-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene?

23-[5-(3,5-diphenylphenyl)-3-pyridinyl]-9-oxa-23-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-[6-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;18-[5-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-[5-(4,6-diphenylpyrimidin-2-yl)-3-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;3-[5-(4,6-dipyridin-3-yl-2-pyridinyl)-3-pyridinyl]-16-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[5-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidin-2-yl]-22-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene has a molecular weight of 4914.70 g/mol, XLogP of 89.99, 32 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 23-[5-(3,5-diphenylphenyl)-3-pyridinyl]-9-oxa-23-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-[6-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;18-[5-(4,6-diphenyl-2-pyridinyl)pyrazin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-[5-(4,6-diphenylpyrimidin-2-yl)-3-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;3-[5-(4,6-dipyridin-3-yl-2-pyridinyl)-3-pyridinyl]-16-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[5-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidin-2-yl]-22-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 157071424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).