2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

C342H192N24O17S5 — CID 165006268

About 2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 165006268) has the molecular formula C342H192N24O17S5 and a molecular weight of 5069.78 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 165006268
• Molecular Formula: C342H192N24O17S5
• Molecular Weight: 5069.78 g/mol
• Exact Mass: 5065.35
• IUPAC Name: 2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5oc6cc7c(cc6c5c4)oc4ccccc47)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5oc6cc7c(cc6c5c4)oc4ccccc47)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5oc6cc7c(cc6c5c4)oc4ccccc47)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4cc6c(cc45)oc4ccccc46)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4oc5cc6c(cc5c4c3)oc3ccccc36)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5cc6c(cc5c4c3)oc3ccccc36)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4oc5cc6c(cc5c34)oc3ccccc36)n2)cc1.c1ccc2c(c1)oc1cc3c(cc12)oc1ccc(-c2nc(-c4cccc5c4sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n2)cc13
• InChI: InChI=1S/C45H25N3O3.C45H23N3O2S2.3C45H27N3O2.3C39H21N3O2S/c1-2-10-27(11-3-1)43-46-44(48-45(47-43)34-17-9-15-32-30-12-4-7-19-38(30)50-42(32)34)28-22-20-26(21-23-28)29-14-8-16-33-36-25-39-35(24-40(36)51-41(29)33)31-13-5-6-18-37(31)49-39;1-4-16-35-25(9-1)33-22-38-34(23-37(33)49-35)32-21-24(19-20-36(32)50-38)43-46-44(30-14-7-12-28-26-10-2-5-17-39(26)51-41(28)30)48-45(47-43)31-15-8-13-29-27-11-3-6-18-40(27)52-42(29)31;1-3-11-28(12-4-1)30-15-9-17-32(23-30)43-46-44(33-18-10-16-31(24-33)29-13-5-2-6-14-29)48-45(47-43)34-21-22-40-36(25-34)38-27-41-37(26-42(38)50-40)35-19-7-8-20-39(35)49-41;1-3-11-28(12-4-1)29-19-21-31(22-20-29)43-46-44(48-45(47-43)35-17-8-7-15-33(35)30-13-5-2-6-14-30)32-23-24-40-36(25-32)38-27-41-37(26-42(38)50-40)34-16-9-10-18-39(34)49-41;1-3-9-28(10-4-1)30-15-19-32(20-16-30)43-46-44(33-21-17-31(18-22-33)29-11-5-2-6-12-29)48-45(47-43)34-23-24-40-36(25-34)38-27-41-37(26-42(38)50-40)35-13-7-8-14-39(35)49-41;1-2-10-22(11-3-1)37-40-38(42-39(41-37)27-16-8-14-25-24-13-5-7-19-34(24)45-36(25)27)26-15-9-18-31-35(26)29-21-32-28(20-33(29)44-31)23-12-4-6-17-30(23)43-32;1-2-9-22(10-3-1)37-40-38(42-39(41-37)27-14-8-13-26-25-12-5-7-16-35(25)45-36(26)27)23-17-18-32-28(19-23)30-21-33-29(20-34(30)44-32)24-11-4-6-15-31(24)43-33;1-2-8-22(9-3-1)37-40-38(42-39(41-37)24-14-16-27-26-11-5-7-13-35(26)45-36(27)19-24)23-15-17-32-28(18-23)30-21-33-29(20-34(30)44-32)25-10-4-6-12-31(25)43-33/h1-25H;1-23H;3*1-27H;3*1-21H
• InChIKey: IZWGYSKWLIRYEY-UHFFFAOYSA-N
• XLogP: 94.78
• TPSA: 532.74 Ų
• H-Bond Acceptors: 46
• Rotatable Bonds: 31
• Heavy Atoms: 388
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5069.78
LogP ≤ 5	94.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 165006268) is 2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5oc6cc7c(cc6c5c4)oc4ccccc47)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5oc6cc7c(cc6c5c4)oc4ccccc47)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5oc6cc7c(cc6c5c4)oc4ccccc47)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4cc6c(cc45)oc4ccccc46)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4oc5cc6c(cc5c4c3)oc3ccccc36)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5cc6c(cc5c4c3)oc3ccccc36)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4oc5cc6c(cc5c34)oc3ccccc36)n2)cc1.c1ccc2c(c1)oc1cc3c(cc12)oc1ccc(-c2nc(-c4cccc5c4sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n2)cc13.

What is the InChIKey of 2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

The InChIKey is IZWGYSKWLIRYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N3O3.C45H23N3O2S2.3C45H27N3O2.3C39H21N3O2S/c1-2-10-27(11-3-1)43-46-44(48-45(47-43)34-17-9-15-32-30-12-4-7-19-38(30)50-42(32)34)28-22-20-26(21-23-28)29-14-8-16-33-36-25-39-35(24-40(36)51-41(29)33)31-13-5-6-18-37(31)49-39;1-4-16-35-25(9-1)33-22-38-34(23-37(33)49-35)32-21-24(19-20-36(32)50-38)43-46-44(30-14-7-12-28-26-10-2-5-17-39(26)51-41(28)30)48-45(47-43)31-15-8-13-29-27-11-3-6-18-40(27)52-42(29)31;1-3-11-28(12-4-1)30-15-9-17-32(23-30)43-46-44(33-18-10-16-31(24-33)29-13-5-2-6-14-29)48-45(47-43)34-21-22-40-36(25-34)38-27-41-37(26-42(38)50-40)35-19-7-8-20-39(35)49-41;1-3-11-28(12-4-1)29-19-21-31(22-20-29)43-46-44(48-45(47-43)35-17-8-7-15-33(35)30-13-5-2-6-14-30)32-23-24-40-36(25-32)38-27-41-37(26-42(38)50-40)34-16-9-10-18-39(34)49-41;1-3-9-28(10-4-1)30-15-19-32(20-16-30)43-46-44(33-21-17-31(18-22-33)29-11-5-2-6-12-29)48-45(47-43)34-23-24-40-36(25-34)38-27-41-37(26-42(38)50-40)35-13-7-8-14-39(35)49-41;1-2-10-22(11-3-1)37-40-38(42-39(41-37)27-16-8-14-25-24-13-5-7-19-34(24)45-36(25)27)26-15-9-18-31-35(26)29-21-32-28(20-33(29)44-31)23-12-4-6-17-30(23)43-32;1-2-9-22(10-3-1)37-40-38(42-39(41-37)27-14-8-13-26-25-12-5-7-16-35(25)45-36(26)27)23-17-18-32-28(19-23)30-21-33-29(20-34(30)44-32)24-11-4-6-15-31(24)43-33;1-2-8-22(9-3-1)37-40-38(42-39(41-37)24-14-16-27-26-11-5-7-13-35(26)45-36(27)19-24)23-15-17-32-28(18-23)30-21-33-29(20-34(30)44-32)25-10-4-6-12-31(25)43-33/h1-25H;1-23H;3*1-27H;3*1-21H.

What are the key properties of 2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 5069.78 g/mol, XLogP of 94.78, 31 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 165006268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).