About 2-dibenzofuran-1-yl-4-[3-[3-(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)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(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)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
2-dibenzofuran-1-yl-4-[3-[3-(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)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(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)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 164950806) has the molecular formula C234H136N18O13
and a molecular weight of 3407.77 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[3-[3-(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)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(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)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
Frequently Asked Questions
What is the IUPAC name of 2-dibenzofuran-1-yl-4-[3-[3-(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)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(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)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-[3-[3-(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)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(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)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 164950806) is 2-dibenzofuran-1-yl-4-[3-[3-(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)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(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)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-[3-[3-(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)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(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)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-[3-[3-(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)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(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)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc6oc7cc8c(cc7c6c5)oc5ccccc58)c4)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc5oc6ccccc6c5cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5oc6cc7c(cc6c5c4)oc4ccccc47)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6oc7cc8c(cc7c6c5)oc5ccccc58)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc5oc6ccccc6c5cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc6oc7ccccc7c6cc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-[3-[3-(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)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(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)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is AMSBTGBAKJTCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O3.C45H27N3O2.C39H23N3O2.3C33H19N3O2/c1-2-11-30(12-3-1)49-52-50(54-51(53-49)38-19-10-22-45-48(38)37-18-5-7-21-43(37)55-45)35-16-9-15-33(26-35)31-13-8-14-32(25-31)34-23-24-44-39(27-34)41-29-46-40(28-47(41)57-44)36-17-4-6-20-42(36)56-46;1-3-11-28(12-4-1)43-46-44(29-13-5-2-6-14-29)48-45(47-43)34-18-10-17-32(24-34)30-15-9-16-31(23-30)33-21-22-40-36(25-33)38-27-41-37(26-42(38)50-40)35-19-7-8-20-39(35)49-41;1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)28-15-9-14-26(20-28)27-18-19-34-30(21-27)32-23-35-31(22-36(32)44-34)29-16-7-8-17-33(29)43-35;1-3-10-20(11-4-1)31-34-32(21-12-5-2-6-13-21)36-33(35-31)24-16-9-15-23-26-18-25-22-14-7-8-17-27(22)37-28(25)19-29(26)38-30(23)24;1-3-10-20(11-4-1)31-34-32(21-12-5-2-6-13-21)36-33(35-31)23-15-9-17-27-30(23)25-18-24-22-14-7-8-16-26(22)37-28(24)19-29(25)38-27;1-3-9-20(10-4-1)31-34-32(21-11-5-2-6-12-21)36-33(35-31)22-15-16-24-26-18-25-23-13-7-8-14-27(23)37-29(25)19-30(26)38-28(24)17-22/h1-29H;1-27H;1-23H;3*1-19H.
What are the key properties of 2-dibenzofuran-1-yl-4-[3-[3-(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)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(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)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-[3-[3-(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)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(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)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 3407.77 g/mol, XLogP of 62.26, 23 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-[3-[3-(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)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(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)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(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)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 164950806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).