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

C333H212N34O2S5 — CID 165011496

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

8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-oxa-8-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;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8-thia-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,18,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-thia-8-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-thia-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-thia-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;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-thia-8-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 165011496) has the molecular formula C333H212N34O2S5 and a molecular weight of 4881.93 g/mol. Its IUPAC name is 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-oxa-8-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;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8-thia-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,18,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-thia-8-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-thia-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-thia-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;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-thia-8-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: 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-oxa-8-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;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8-thia-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,18,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-thia-8-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-thia-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-thia-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;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-thia-8-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: 165011496
• Molecular Formula: C333H212N34O2S5
• Molecular Weight: 4881.93 g/mol
• Exact Mass: 4877.61
• IUPAC Name: 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-oxa-8-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;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8-thia-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,18,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-thia-8-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-thia-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-thia-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;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-thia-8-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5c(c6ccccc64)-c4ccccc4Sc4ccccc4-5)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5c(c6cnccc64)-c4ccccc4N(c4ccccc4)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5-c5sc6ccccc6c5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5c(c6cccc(-c7ccccc7)c64)-c4ccccc4Sc4ccccc4-5)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5oc6ccccc6c5-c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(c5cccc(-c6ccccc6)c53)-c3ccccc3Oc3ccccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(c5cccc(-c6ccccc6)c53)-c3ccccc3Sc3ccccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-c4sc5ccccc5c4-c4ccccc43)n2)cc1
• InChI: InChI=1S/C47H30N4S.C46H30N6.2C41H26N4O.3C41H26N4S.C35H22N4S/c1-4-16-31(17-5-1)36-26-15-27-39-42-37-24-10-12-28-40(37)52-41-29-13-11-25-38(41)44(42)51(43(36)39)35-23-14-22-34(30-35)47-49-45(32-18-6-2-7-19-32)48-46(50-47)33-20-8-3-9-21-33;1-4-14-31(15-5-1)44-48-45(32-16-6-2-7-17-32)50-46(49-44)33-24-26-35(27-25-33)52-41-28-29-47-30-38(41)42-36-20-10-12-22-39(36)51(34-18-8-3-9-19-34)40-23-13-11-21-37(40)43(42)52;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;1-3-14-27(15-4-1)39-42-40(28-16-5-2-6-17-28)44-41(43-39)29-18-13-19-30(26-29)45-34-23-10-7-20-31(34)37-33-22-9-12-25-36(33)46-38(37)32-21-8-11-24-35(32)45;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;1-3-13-27(14-4-1)39-42-40(28-15-5-2-6-16-28)44-41(43-39)29-23-25-30(26-24-29)45-34-20-10-7-17-31(34)37-33-19-9-12-22-36(33)46-38(37)32-18-8-11-21-35(32)45;1-3-13-27(14-4-1)39-42-40(28-15-5-2-6-16-28)44-41(43-39)29-23-25-30(26-24-29)45-34-20-10-7-17-31(34)37-32-18-8-11-21-35(32)46-36-22-12-9-19-33(36)38(37)45;1-3-13-23(14-4-1)33-36-34(24-15-5-2-6-16-24)38-35(37-33)39-28-20-10-7-17-25(28)31-27-19-9-12-22-30(27)40-32(31)26-18-8-11-21-29(26)39/h2*1-30H;5*1-26H;1-22H
• InChIKey: JTWSULXJEXGTAD-UHFFFAOYSA-N
• XLogP: 86.58
• TPSA: 382.23 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 33
• Heavy Atoms: 374
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4881.93
LogP ≤ 5	86.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-oxa-8-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;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8-thia-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,18,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-thia-8-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-thia-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-thia-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;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-thia-8-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 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-oxa-8-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;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8-thia-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,18,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-thia-8-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-thia-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-thia-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;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-thia-8-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (CID 165011496) is 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-oxa-8-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;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8-thia-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,18,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-thia-8-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-thia-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-thia-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;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-thia-8-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 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-oxa-8-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;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8-thia-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,18,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-thia-8-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-thia-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-thia-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;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-thia-8-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 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-oxa-8-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;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8-thia-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,18,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-thia-8-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-thia-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-thia-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;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-thia-8-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5c(c6ccccc64)-c4ccccc4Sc4ccccc4-5)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5c(c6cnccc64)-c4ccccc4N(c4ccccc4)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5-c5sc6ccccc6c5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5c(c6cccc(-c7ccccc7)c64)-c4ccccc4Sc4ccccc4-5)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5oc6ccccc6c5-c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(c5cccc(-c6ccccc6)c53)-c3ccccc3Oc3ccccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(c5cccc(-c6ccccc6)c53)-c3ccccc3Sc3ccccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-c4sc5ccccc5c4-c4ccccc43)n2)cc1.

What is the InChIKey of 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-oxa-8-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;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8-thia-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,18,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-thia-8-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-thia-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-thia-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;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-thia-8-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 JTWSULXJEXGTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4S.C46H30N6.2C41H26N4O.3C41H26N4S.C35H22N4S/c1-4-16-31(17-5-1)36-26-15-27-39-42-37-24-10-12-28-40(37)52-41-29-13-11-25-38(41)44(42)51(43(36)39)35-23-14-22-34(30-35)47-49-45(32-18-6-2-7-19-32)48-46(50-47)33-20-8-3-9-21-33;1-4-14-31(15-5-1)44-48-45(32-16-6-2-7-17-32)50-46(49-44)33-24-26-35(27-25-33)52-41-28-29-47-30-38(41)42-36-20-10-12-22-39(36)51(34-18-8-3-9-19-34)40-23-13-11-21-37(40)43(42)52;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;1-3-14-27(15-4-1)39-42-40(28-16-5-2-6-17-28)44-41(43-39)29-18-13-19-30(26-29)45-34-23-10-7-20-31(34)37-33-22-9-12-25-36(33)46-38(37)32-21-8-11-24-35(32)45;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;1-3-13-27(14-4-1)39-42-40(28-15-5-2-6-16-28)44-41(43-39)29-23-25-30(26-24-29)45-34-20-10-7-17-31(34)37-33-19-9-12-22-36(33)46-38(37)32-18-8-11-21-35(32)45;1-3-13-27(14-4-1)39-42-40(28-15-5-2-6-16-28)44-41(43-39)29-23-25-30(26-24-29)45-34-20-10-7-17-31(34)37-32-18-8-11-21-35(32)46-36-22-12-9-19-33(36)38(37)45;1-3-13-23(14-4-1)33-36-34(24-15-5-2-6-16-24)38-35(37-33)39-28-20-10-7-17-25(28)31-27-19-9-12-22-30(27)40-32(31)26-18-8-11-21-29(26)39/h2*1-30H;5*1-26H;1-22H.

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

8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-oxa-8-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;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8-thia-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,18,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-thia-8-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-thia-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-thia-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;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-thia-8-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 4881.93 g/mol, XLogP of 86.58, 33 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-oxa-8-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;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8-thia-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,18,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-thia-8-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-thia-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-thia-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;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-thia-8-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 165011496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).