5,14-diphenyl-9-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-[3-(1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-methylphenyl)-14-phenyl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-phenyl-9-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3-benzoxazole

C261H166N34OS3 — CID 162205994

About 5,14-diphenyl-9-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-[3-(1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-methylphenyl)-14-phenyl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-phenyl-9-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3-benzoxazole

5,14-diphenyl-9-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-[3-(1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-methylphenyl)-14-phenyl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-phenyl-9-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3-benzoxazole (PubChem CID 162205994) has the molecular formula C261H166N34OS3 and a molecular weight of 3890.64 g/mol. Its IUPAC name is 5,14-diphenyl-9-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-[3-(1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-methylphenyl)-14-phenyl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-phenyl-9-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3-benzoxazole.

Molecular Properties

• Compound Name: 5,14-diphenyl-9-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-[3-(1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-methylphenyl)-14-phenyl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-phenyl-9-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3-benzoxazole
• PubChem CID: 162205994
• Molecular Formula: C261H166N34OS3
• Molecular Weight: 3890.64 g/mol
• Exact Mass: 3887.31
• IUPAC Name: 5,14-diphenyl-9-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-[3-(1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-methylphenyl)-14-phenyl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-phenyl-9-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3-benzoxazole
• SMILES: Cc1ccc(-n2c3ccc(-c4ncncn4)cc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-c2ccc3c(c2)c2c4c5ccccc5n(-c5ccccc5)c4ccc2n3-c2ccccn2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cnc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)nc3)n2)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)sc2ccccc24)nc1.c1ccc(-n2c3ccccc3c3c4c5cc(-c6cccc(-c7ncncn7)c6)ccc5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4c5cc(-c6ncncn6)ccc5n(-c5ncccn5)c4ccc32)cc1.c1ccc(N2c3ccccc3NC2n2c3ccccc3c3c4c(ccc32)sc2ccccc24)cc1.c1ccc2c(c1)sc1ccc3c(c4ccccc4n3-c3ccc4ocnc4c3)c12
• InChI: InChI=1S/C43H27N7.C39H25N5.C35H23N3.C34H23N5.C31H19N7.C31H21N3S.C25H14N2OS.C23H14N2S/c1-4-14-28(15-5-1)40-46-41(29-16-6-2-7-17-29)48-42(47-40)30-26-44-43(45-27-30)50-35-23-13-11-21-33(35)39-37(50)25-24-36-38(39)32-20-10-12-22-34(32)49(36)31-18-8-3-9-19-31;1-3-12-29(13-4-1)43-33-17-8-7-16-31(33)37-35(43)20-21-36-38(37)32-23-27(18-19-34(32)44(36)30-14-5-2-6-15-30)26-10-9-11-28(22-26)39-41-24-40-25-42-39;1-3-11-24(12-4-1)25-18-19-30-28(23-25)35-32(38(30)33-17-9-10-22-36-33)21-20-31-34(35)27-15-7-8-16-29(27)37(31)26-13-5-2-6-14-26;1-22-11-14-25(15-12-22)39-29-16-13-23(34-36-20-35-21-37-34)19-27(29)33-31(39)18-17-30-32(33)26-9-5-6-10-28(26)38(30)24-7-3-2-4-8-24;1-2-7-21(8-3-1)37-24-10-5-4-9-22(24)28-26(37)13-14-27-29(28)23-17-20(30-35-18-32-19-36-30)11-12-25(23)38(27)31-33-15-6-16-34-31;1-2-10-20(11-3-1)33-25-16-8-6-14-23(25)32-31(33)34-24-15-7-4-12-21(24)29-26(34)18-19-28-30(29)22-13-5-9-17-27(22)35-28;1-3-7-19-16(5-1)24-20(27(19)15-9-11-21-18(13-15)26-14-28-21)10-12-23-25(24)17-6-2-4-8-22(17)29-23;1-3-9-17-15(7-1)22-18(25(17)21-11-5-6-14-24-21)12-13-20-23(22)16-8-2-4-10-19(16)26-20/h1-27H;1-25H;1-23H;2-21H,1H3;1-19H;1-19,31-32H;1-14H;1-14H
• InChIKey: ZSERVLARFLSPJZ-UHFFFAOYSA-N
• XLogP: 65.49
• TPSA: 337.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 299
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3890.64
LogP ≤ 5	65.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 5,14-diphenyl-9-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-[3-(1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-methylphenyl)-14-phenyl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-phenyl-9-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3-benzoxazole?

The IUPAC name of 5,14-diphenyl-9-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-[3-(1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-methylphenyl)-14-phenyl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-phenyl-9-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3-benzoxazole (CID 162205994) is 5,14-diphenyl-9-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-[3-(1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-methylphenyl)-14-phenyl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-phenyl-9-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3-benzoxazole.

What is the SMILES notation for 5,14-diphenyl-9-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-[3-(1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-methylphenyl)-14-phenyl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-phenyl-9-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3-benzoxazole?

The canonical SMILES for 5,14-diphenyl-9-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-[3-(1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-methylphenyl)-14-phenyl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-phenyl-9-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3-benzoxazole is Cc1ccc(-n2c3ccc(-c4ncncn4)cc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-c2ccc3c(c2)c2c4c5ccccc5n(-c5ccccc5)c4ccc2n3-c2ccccn2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cnc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)nc3)n2)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)sc2ccccc24)nc1.c1ccc(-n2c3ccccc3c3c4c5cc(-c6cccc(-c7ncncn7)c6)ccc5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4c5cc(-c6ncncn6)ccc5n(-c5ncccn5)c4ccc32)cc1.c1ccc(N2c3ccccc3NC2n2c3ccccc3c3c4c(ccc32)sc2ccccc24)cc1.c1ccc2c(c1)sc1ccc3c(c4ccccc4n3-c3ccc4ocnc4c3)c12.

What is the InChIKey of 5,14-diphenyl-9-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-[3-(1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-methylphenyl)-14-phenyl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-phenyl-9-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3-benzoxazole?

The InChIKey is ZSERVLARFLSPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N7.C39H25N5.C35H23N3.C34H23N5.C31H19N7.C31H21N3S.C25H14N2OS.C23H14N2S/c1-4-14-28(15-5-1)40-46-41(29-16-6-2-7-17-29)48-42(47-40)30-26-44-43(45-27-30)50-35-23-13-11-21-33(35)39-37(50)25-24-36-38(39)32-20-10-12-22-34(32)49(36)31-18-8-3-9-19-31;1-3-12-29(13-4-1)43-33-17-8-7-16-31(33)37-35(43)20-21-36-38(37)32-23-27(18-19-34(32)44(36)30-14-5-2-6-15-30)26-10-9-11-28(22-26)39-41-24-40-25-42-39;1-3-11-24(12-4-1)25-18-19-30-28(23-25)35-32(38(30)33-17-9-10-22-36-33)21-20-31-34(35)27-15-7-8-16-29(27)37(31)26-13-5-2-6-14-26;1-22-11-14-25(15-12-22)39-29-16-13-23(34-36-20-35-21-37-34)19-27(29)33-31(39)18-17-30-32(33)26-9-5-6-10-28(26)38(30)24-7-3-2-4-8-24;1-2-7-21(8-3-1)37-24-10-5-4-9-22(24)28-26(37)13-14-27-29(28)23-17-20(30-35-18-32-19-36-30)11-12-25(23)38(27)31-33-15-6-16-34-31;1-2-10-20(11-3-1)33-25-16-8-6-14-23(25)32-31(33)34-24-15-7-4-12-21(24)29-26(34)18-19-28-30(29)22-13-5-9-17-27(22)35-28;1-3-7-19-16(5-1)24-20(27(19)15-9-11-21-18(13-15)26-14-28-21)10-12-23-25(24)17-6-2-4-8-22(17)29-23;1-3-9-17-15(7-1)22-18(25(17)21-11-5-6-14-24-21)12-13-20-23(22)16-8-2-4-10-19(16)26-20/h1-27H;1-25H;1-23H;2-21H,1H3;1-19H;1-19,31-32H;1-14H;1-14H.

What are the key properties of 5,14-diphenyl-9-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-[3-(1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-methylphenyl)-14-phenyl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-phenyl-9-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3-benzoxazole?

5,14-diphenyl-9-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-[3-(1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-methylphenyl)-14-phenyl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-phenyl-9-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3-benzoxazole has a molecular weight of 3890.64 g/mol, XLogP of 65.49, 22 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5,14-diphenyl-9-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-[3-(1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-methylphenyl)-14-phenyl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-phenyl-9-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3-benzoxazole is sourced from PubChem (CID 162205994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).