10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C346H215F3N28O16 — CID 158740341

About 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 158740341) has the molecular formula C346H215F3N28O16 and a molecular weight of 5077.70 g/mol. Its IUPAC name is 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 158740341
• Molecular Formula: C346H215F3N28O16
• Molecular Weight: 5077.70 g/mol
• Exact Mass: 5073.68
• IUPAC Name: 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3cc4c(cc32)Oc2ccccc2O4)c1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)Oc4ccccc4O6)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)Oc4ccccc4O6)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)Oc4ccccc4O6)c3)n2)cc1.c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc5c(cc43)Oc3ccccc3O5)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)Oc5ccccc5O7)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)Oc5ccccc5O7)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-n3c4ccccc4c4cc5c(cc43)Oc3ccccc3O5)cc2)cc1
• InChI: InChI=1S/2C51H32N4O2.C45H28N4O2.C41H26N2O2.C40H23F3N4O2.2C40H25N3O2.C38H24N4O2/c1-3-13-33(14-4-1)36-17-11-19-38(29-36)50-52-49(53-51(54-50)39-20-12-18-37(30-39)34-15-5-2-6-16-34)35-25-27-40(28-26-35)55-43-22-8-7-21-41(43)42-31-47-48(32-44(42)55)57-46-24-10-9-23-45(46)56-47;1-3-11-33(12-4-1)35-19-23-37(24-20-35)49-52-50(38-25-21-36(22-26-38)34-13-5-2-6-14-34)54-51(53-49)39-27-29-40(30-28-39)55-43-16-8-7-15-41(43)42-31-47-48(32-44(42)55)57-46-18-10-9-17-45(46)56-47;1-4-14-29(15-5-1)32-24-33(45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31)26-34(25-32)49-37-21-11-10-20-35(37)36-27-41-42(28-38(36)49)51-40-23-13-12-22-39(40)50-41;1-3-12-27(13-4-1)30-23-34(28-14-5-2-6-15-28)42-35(24-30)29-16-11-17-31(22-29)43-36-19-8-7-18-32(36)33-25-40-41(26-37(33)43)45-39-21-10-9-20-38(39)44-40;41-40(42,43)27-19-26(39-45-37(24-11-3-1-4-12-24)44-38(46-39)25-13-5-2-6-14-25)20-28(21-27)47-31-16-8-7-15-29(31)30-22-35-36(23-32(30)47)49-34-18-10-9-17-33(34)48-35;1-3-12-26(13-4-1)32-24-33(42-40(41-32)27-14-5-2-6-15-27)28-16-11-17-29(22-28)43-34-19-8-7-18-30(34)31-23-38-39(25-35(31)43)45-37-21-10-9-20-36(37)44-38;1-3-12-26(13-4-1)32-24-33(27-14-5-2-6-15-27)42-40(41-32)28-16-11-17-29(22-28)43-34-19-8-7-18-30(34)31-23-38-39(25-35(31)43)45-37-21-10-9-20-36(37)44-38;1-3-11-25(12-4-1)37-39-40-38(26-13-5-2-6-14-26)42(37)28-21-19-27(20-22-28)41-31-16-8-7-15-29(31)30-23-35-36(24-32(30)41)44-34-18-10-9-17-33(34)43-35/h2*1-32H;1-28H;1-26H;1-23H;2*1-25H;1-24H
• InChIKey: IMFHFYZWVPMTFF-UHFFFAOYSA-N
• XLogP: 90.44
• TPSA: 436.96 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 37
• Heavy Atoms: 393
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5077.70
LogP ≤ 5	90.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The IUPAC name of 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 158740341) is 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

What is the SMILES notation for 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The canonical SMILES for 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3cc4c(cc32)Oc2ccccc2O4)c1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)Oc4ccccc4O6)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)Oc4ccccc4O6)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)Oc4ccccc4O6)c3)n2)cc1.c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc5c(cc43)Oc3ccccc3O5)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)Oc5ccccc5O7)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)Oc5ccccc5O7)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-n3c4ccccc4c4cc5c(cc43)Oc3ccccc3O5)cc2)cc1.

What is the InChIKey of 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is IMFHFYZWVPMTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H32N4O2.C45H28N4O2.C41H26N2O2.C40H23F3N4O2.2C40H25N3O2.C38H24N4O2/c1-3-13-33(14-4-1)36-17-11-19-38(29-36)50-52-49(53-51(54-50)39-20-12-18-37(30-39)34-15-5-2-6-16-34)35-25-27-40(28-26-35)55-43-22-8-7-21-41(43)42-31-47-48(32-44(42)55)57-46-24-10-9-23-45(46)56-47;1-3-11-33(12-4-1)35-19-23-37(24-20-35)49-52-50(38-25-21-36(22-26-38)34-13-5-2-6-14-34)54-51(53-49)39-27-29-40(30-28-39)55-43-16-8-7-15-41(43)42-31-47-48(32-44(42)55)57-46-18-10-9-17-45(46)56-47;1-4-14-29(15-5-1)32-24-33(45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31)26-34(25-32)49-37-21-11-10-20-35(37)36-27-41-42(28-38(36)49)51-40-23-13-12-22-39(40)50-41;1-3-12-27(13-4-1)30-23-34(28-14-5-2-6-15-28)42-35(24-30)29-16-11-17-31(22-29)43-36-19-8-7-18-32(36)33-25-40-41(26-37(33)43)45-39-21-10-9-20-38(39)44-40;41-40(42,43)27-19-26(39-45-37(24-11-3-1-4-12-24)44-38(46-39)25-13-5-2-6-14-25)20-28(21-27)47-31-16-8-7-15-29(31)30-22-35-36(23-32(30)47)49-34-18-10-9-17-33(34)48-35;1-3-12-26(13-4-1)32-24-33(42-40(41-32)27-14-5-2-6-15-27)28-16-11-17-29(22-28)43-34-19-8-7-18-30(34)31-23-38-39(25-35(31)43)45-37-21-10-9-20-36(37)44-38;1-3-12-26(13-4-1)32-24-33(27-14-5-2-6-15-27)42-40(41-32)28-16-11-17-29(22-28)43-34-19-8-7-18-30(34)31-23-38-39(25-35(31)43)45-37-21-10-9-20-36(37)44-38;1-3-11-25(12-4-1)37-39-40-38(26-13-5-2-6-14-26)42(37)28-21-19-27(20-22-28)41-31-16-8-7-15-29(31)30-23-35-36(24-32(30)41)44-34-18-10-9-17-33(34)43-35/h2*1-32H;1-28H;1-26H;1-23H;2*1-25H;1-24H.

What are the key properties of 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 5077.70 g/mol, XLogP of 90.44, 37 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 158740341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).