22-(2,6-diphenyl-4-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenyl-2-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(2,6-diphenylpyrimidin-4-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenylpyrimidin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;3-[4-(8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;22-(6-pyridin-2-yl-3-pyridinyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

C322H206N22O8 — CID 157094918

About 22-(2,6-diphenyl-4-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenyl-2-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(2,6-diphenylpyrimidin-4-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenylpyrimidin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;3-[4-(8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;22-(6-pyridin-2-yl-3-pyridinyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

22-(2,6-diphenyl-4-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenyl-2-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(2,6-diphenylpyrimidin-4-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenylpyrimidin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;3-[4-(8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;22-(6-pyridin-2-yl-3-pyridinyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (PubChem CID 157094918) has the molecular formula C322H206N22O8 and a molecular weight of 4511.34 g/mol. Its IUPAC name is 22-(2,6-diphenyl-4-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenyl-2-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(2,6-diphenylpyrimidin-4-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenylpyrimidin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;3-[4-(8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;22-(6-pyridin-2-yl-3-pyridinyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

Molecular Properties

• Compound Name: 22-(2,6-diphenyl-4-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenyl-2-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(2,6-diphenylpyrimidin-4-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenylpyrimidin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;3-[4-(8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;22-(6-pyridin-2-yl-3-pyridinyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• PubChem CID: 157094918
• Molecular Formula: C322H206N22O8
• Molecular Weight: 4511.34 g/mol
• Exact Mass: 4507.64
• IUPAC Name: 22-(2,6-diphenyl-4-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenyl-2-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(2,6-diphenylpyrimidin-4-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenylpyrimidin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;3-[4-(8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;22-(6-pyridin-2-yl-3-pyridinyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• SMILES: N#Cc1cccc(-c2ccc(-n3c4c(c5ccccc53)-c3ccccc3Oc3ccccc3-4)cc2)c1.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6c(c7ccccc75)-c5ccccc5Oc5ccccc5-6)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4c(c5cccc(-c6ccccc6)c53)-c3ccccc3Oc3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4c(c5cccc(-c6ccccc6)c53)-c3ccccc3Oc3ccccc3-4)n2)cc1.c1ccc(-c2cc(-n3c4c(c5cccc(-c6ccccc6)c53)-c3ccccc3Oc3ccccc3-4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4c(c5cccc(-c6ccccc6)c53)-c3ccccc3Oc3ccccc3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-n3c4c(c5ccccc53)-c3ccccc3Oc3ccccc3-4)cn2)nc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(c5cccc(-c6ccccc6)c53)-c3ccccc3Oc3ccccc3-4)n2)cc1
• InChI: InChI=1S/C48H31N3O.2C43H28N2O.2C42H27N3O.C41H26N4O.C33H20N2O.C30H19N3O/c1-3-13-34(14-4-1)41-31-42(50-48(49-41)36-15-5-2-6-16-36)35-25-23-32(24-26-35)33-27-29-37(30-28-33)51-43-20-10-7-17-38(43)46-39-18-8-11-21-44(39)52-45-22-12-9-19-40(45)47(46)51;1-4-15-29(16-5-1)33-23-14-24-36-41-34-21-10-12-25-39(34)46-40-26-13-11-22-35(40)43(41)45(42(33)36)32-27-37(30-17-6-2-7-18-30)44-38(28-32)31-19-8-3-9-20-31;1-4-15-29(16-5-1)32-27-37(31-19-8-3-9-20-31)44-40(28-32)45-42-33(30-17-6-2-7-18-30)23-14-24-36(42)41-34-21-10-12-25-38(34)46-39-26-13-11-22-35(39)43(41)45;1-4-15-28(16-5-1)31-23-14-24-34-39-32-21-10-12-25-37(32)46-38-26-13-11-22-33(38)41(39)45(40(31)34)42-43-35(29-17-6-2-7-18-29)27-36(44-42)30-19-8-3-9-20-30;1-4-15-28(16-5-1)31-23-14-24-34-39-32-21-10-12-25-36(32)46-37-26-13-11-22-33(37)41(39)45(40(31)34)38-27-35(29-17-6-2-7-18-29)43-42(44-38)30-19-8-3-9-20-30;1-4-15-27(16-5-1)30-23-14-24-33-36-31-21-10-12-25-34(31)46-35-26-13-11-22-32(35)38(36)45(37(30)33)41-43-39(28-17-6-2-7-18-28)42-40(44-41)29-19-8-3-9-20-29;34-21-22-8-7-9-24(20-22)23-16-18-25(19-17-23)35-29-13-4-1-10-26(29)32-27-11-2-5-14-30(27)36-31-15-6-3-12-28(31)33(32)35;1-4-13-26-21(9-1)29-22-10-2-5-14-27(22)34-28-15-6-3-11-23(28)30(29)33(26)20-16-17-25(32-19-20)24-12-7-8-18-31-24/h1-31H;2*1-28H;2*1-27H;1-26H;1-20H;1-19H
• InChIKey: AFCDCILABUYWBV-UHFFFAOYSA-N
• XLogP: 83.58
• TPSA: 304.64 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 352
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4511.34
LogP ≤ 5	83.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 22-(2,6-diphenyl-4-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenyl-2-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(2,6-diphenylpyrimidin-4-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenylpyrimidin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;3-[4-(8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;22-(6-pyridin-2-yl-3-pyridinyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The IUPAC name of 22-(2,6-diphenyl-4-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenyl-2-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(2,6-diphenylpyrimidin-4-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenylpyrimidin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;3-[4-(8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;22-(6-pyridin-2-yl-3-pyridinyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (CID 157094918) is 22-(2,6-diphenyl-4-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenyl-2-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(2,6-diphenylpyrimidin-4-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenylpyrimidin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;3-[4-(8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;22-(6-pyridin-2-yl-3-pyridinyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

What is the SMILES notation for 22-(2,6-diphenyl-4-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenyl-2-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(2,6-diphenylpyrimidin-4-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenylpyrimidin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;3-[4-(8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;22-(6-pyridin-2-yl-3-pyridinyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The canonical SMILES for 22-(2,6-diphenyl-4-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenyl-2-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(2,6-diphenylpyrimidin-4-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenylpyrimidin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;3-[4-(8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;22-(6-pyridin-2-yl-3-pyridinyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is N#Cc1cccc(-c2ccc(-n3c4c(c5ccccc53)-c3ccccc3Oc3ccccc3-4)cc2)c1.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6c(c7ccccc75)-c5ccccc5Oc5ccccc5-6)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4c(c5cccc(-c6ccccc6)c53)-c3ccccc3Oc3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4c(c5cccc(-c6ccccc6)c53)-c3ccccc3Oc3ccccc3-4)n2)cc1.c1ccc(-c2cc(-n3c4c(c5cccc(-c6ccccc6)c53)-c3ccccc3Oc3ccccc3-4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4c(c5cccc(-c6ccccc6)c53)-c3ccccc3Oc3ccccc3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-n3c4c(c5ccccc53)-c3ccccc3Oc3ccccc3-4)cn2)nc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(c5cccc(-c6ccccc6)c53)-c3ccccc3Oc3ccccc3-4)n2)cc1.

What is the InChIKey of 22-(2,6-diphenyl-4-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenyl-2-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(2,6-diphenylpyrimidin-4-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenylpyrimidin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;3-[4-(8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;22-(6-pyridin-2-yl-3-pyridinyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The InChIKey is AFCDCILABUYWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O.2C43H28N2O.2C42H27N3O.C41H26N4O.C33H20N2O.C30H19N3O/c1-3-13-34(14-4-1)41-31-42(50-48(49-41)36-15-5-2-6-16-36)35-25-23-32(24-26-35)33-27-29-37(30-28-33)51-43-20-10-7-17-38(43)46-39-18-8-11-21-44(39)52-45-22-12-9-19-40(45)47(46)51;1-4-15-29(16-5-1)33-23-14-24-36-41-34-21-10-12-25-39(34)46-40-26-13-11-22-35(40)43(41)45(42(33)36)32-27-37(30-17-6-2-7-18-30)44-38(28-32)31-19-8-3-9-20-31;1-4-15-29(16-5-1)32-27-37(31-19-8-3-9-20-31)44-40(28-32)45-42-33(30-17-6-2-7-18-30)23-14-24-36(42)41-34-21-10-12-25-38(34)46-39-26-13-11-22-35(39)43(41)45;1-4-15-28(16-5-1)31-23-14-24-34-39-32-21-10-12-25-37(32)46-38-26-13-11-22-33(38)41(39)45(40(31)34)42-43-35(29-17-6-2-7-18-29)27-36(44-42)30-19-8-3-9-20-30;1-4-15-28(16-5-1)31-23-14-24-34-39-32-21-10-12-25-36(32)46-37-26-13-11-22-33(37)41(39)45(40(31)34)38-27-35(29-17-6-2-7-18-29)43-42(44-38)30-19-8-3-9-20-30;1-4-15-27(16-5-1)30-23-14-24-33-36-31-21-10-12-25-34(31)46-35-26-13-11-22-32(35)38(36)45(37(30)33)41-43-39(28-17-6-2-7-18-28)42-40(44-41)29-19-8-3-9-20-29;34-21-22-8-7-9-24(20-22)23-16-18-25(19-17-23)35-29-13-4-1-10-26(29)32-27-11-2-5-14-30(27)36-31-15-6-3-12-28(31)33(32)35;1-4-13-26-21(9-1)29-22-10-2-5-14-27(22)34-28-15-6-3-11-23(28)30(29)33(26)20-16-17-25(32-19-20)24-12-7-8-18-31-24/h1-31H;2*1-28H;2*1-27H;1-26H;1-20H;1-19H.

What are the key properties of 22-(2,6-diphenyl-4-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenyl-2-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(2,6-diphenylpyrimidin-4-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenylpyrimidin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;3-[4-(8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;22-(6-pyridin-2-yl-3-pyridinyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

22-(2,6-diphenyl-4-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenyl-2-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(2,6-diphenylpyrimidin-4-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenylpyrimidin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;3-[4-(8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;22-(6-pyridin-2-yl-3-pyridinyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene has a molecular weight of 4511.34 g/mol, XLogP of 83.58, 29 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 22-(2,6-diphenyl-4-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenyl-2-pyridinyl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(2,6-diphenylpyrimidin-4-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-(4,6-diphenylpyrimidin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;3-[4-(8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;22-(6-pyridin-2-yl-3-pyridinyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is sourced from PubChem (CID 157094918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).