2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

C315H175N21O21 — CID 165045497

IUPAC2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-c5ccc6oc7cc8oc9ccccc9c8cc7c6c5)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6ccc7c(c6)oc6cc8oc9ccccc9c8cc67)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6ccc7oc8cc9oc%10ccccc%10c9cc8c7c6)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6cccc7c6oc6cc8oc9ccccc9c8cc67)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6cccc7oc8cc9oc%10ccccc%10c9cc8c67)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cccc7c6oc6cc8oc9ccccc9c8cc67)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cccc7oc8cc9oc%10ccccc%10c9cc8c67)cc5c34)n2)cc1
InChIInChI=1S/7C45H25N3O3/c1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)32-17-10-20-37-42(32)31-22-21-28(23-38(31)50-37)29-16-9-19-36-41(29)34-24-33-30-15-7-8-18-35(30)49-39(33)25-40(34)51-36;1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)31-17-10-20-38-42(31)33-23-28(21-22-36(33)49-38)29-16-9-19-37-41(29)34-24-32-30-15-7-8-18-35(30)50-39(32)25-40(34)51-37;1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)33-18-10-20-37-41(33)32-22-21-28(23-38(32)50-37)29-16-9-17-31-35-24-34-30-15-7-8-19-36(30)49-39(34)25-40(35)51-42(29)31;1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)32-18-10-20-38-41(32)35-23-28(21-22-37(35)49-38)29-16-9-17-31-34-24-33-30-15-7-8-19-36(30)50-39(33)25-40(34)51-42(29)31;1-3-10-26(11-4-1)43-46-44(27-12-5-2-6-13-27)48-45(47-43)32-16-9-15-31-33-22-28(19-21-39(33)51-42(31)32)29-18-20-38-34(23-29)36-24-35-30-14-7-8-17-37(30)49-40(35)25-41(36)50-38;1-3-10-26(11-4-1)43-46-44(27-12-5-2-6-13-27)48-45(47-43)32-15-9-17-38-42(32)31-20-18-29(23-39(31)51-38)28-19-21-37-33(22-28)35-24-34-30-14-7-8-16-36(30)49-40(34)25-41(35)50-37;1-3-10-26(11-4-1)43-46-44(27-12-5-2-6-13-27)48-45(47-43)33-15-9-17-37-42(33)32-21-19-29(23-39(32)50-37)28-18-20-31-35-24-34-30-14-7-8-16-36(30)49-40(34)25-41(35)51-38(31)22-28/h7*1-25H
InChIKeyOVFHFNZUVPNCDU-UHFFFAOYSA-N
MW4589.99 g/mol
LogP85.66
Rot. Bonds28

About 2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 165045497) has the molecular formula C315H175N21O21 and a molecular weight of 4589.99 g/mol. Its IUPAC name is 2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID165045497
Molecular FormulaC315H175N21O21
Molecular Weight4589.99 g/mol
Exact Mass4586.33
IUPAC Name2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-c5ccc6oc7cc8oc9ccccc9c8cc7c6c5)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6ccc7c(c6)oc6cc8oc9ccccc9c8cc67)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6ccc7oc8cc9oc%10ccccc%10c9cc8c7c6)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6cccc7c6oc6cc8oc9ccccc9c8cc67)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6cccc7oc8cc9oc%10ccccc%10c9cc8c67)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cccc7c6oc6cc8oc9ccccc9c8cc67)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cccc7oc8cc9oc%10ccccc%10c9cc8c67)cc5c34)n2)cc1
InChIInChI=1S/7C45H25N3O3/c1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)32-17-10-20-37-42(32)31-22-21-28(23-38(31)50-37)29-16-9-19-36-41(29)34-24-33-30-15-7-8-18-35(30)49-39(33)25-40(34)51-36;1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)31-17-10-20-38-42(31)33-23-28(21-22-36(33)49-38)29-16-9-19-37-41(29)34-24-32-30-15-7-8-18-35(30)50-39(32)25-40(34)51-37;1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)33-18-10-20-37-41(33)32-22-21-28(23-38(32)50-37)29-16-9-17-31-35-24-34-30-15-7-8-19-36(30)49-39(34)25-40(35)51-42(29)31;1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)32-18-10-20-38-41(32)35-23-28(21-22-37(35)49-38)29-16-9-17-31-34-24-33-30-15-7-8-19-36(30)50-39(33)25-40(34)51-42(29)31;1-3-10-26(11-4-1)43-46-44(27-12-5-2-6-13-27)48-45(47-43)32-16-9-15-31-33-22-28(19-21-39(33)51-42(31)32)29-18-20-38-34(23-29)36-24-35-30-14-7-8-17-37(30)49-40(35)25-41(36)50-38;1-3-10-26(11-4-1)43-46-44(27-12-5-2-6-13-27)48-45(47-43)32-15-9-17-38-42(32)31-20-18-29(23-39(31)51-38)28-19-21-37-33(22-28)35-24-34-30-14-7-8-16-36(30)49-40(34)25-41(35)50-37;1-3-10-26(11-4-1)43-46-44(27-12-5-2-6-13-27)48-45(47-43)33-15-9-17-37-42(33)32-21-19-29(23-39(32)50-37)28-18-20-31-35-24-34-30-14-7-8-16-36(30)49-40(34)25-41(35)51-38(31)22-28/h7*1-25H
InChIKeyOVFHFNZUVPNCDU-UHFFFAOYSA-N
XLogP85.66
TPSA546.63 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds28
Heavy Atoms357
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004589.99
LogP ≤ 585.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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What is the IUPAC name of 2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 165045497) is 2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-c5ccc6oc7cc8oc9ccccc9c8cc7c6c5)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6ccc7c(c6)oc6cc8oc9ccccc9c8cc67)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6ccc7oc8cc9oc%10ccccc%10c9cc8c7c6)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6cccc7c6oc6cc8oc9ccccc9c8cc67)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6cccc7oc8cc9oc%10ccccc%10c9cc8c67)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cccc7c6oc6cc8oc9ccccc9c8cc67)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cccc7oc8cc9oc%10ccccc%10c9cc8c67)cc5c34)n2)cc1.
What is the InChIKey of 2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is OVFHFNZUVPNCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/7C45H25N3O3/c1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)32-17-10-20-37-42(32)31-22-21-28(23-38(31)50-37)29-16-9-19-36-41(29)34-24-33-30-15-7-8-18-35(30)49-39(33)25-40(34)51-36;1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)31-17-10-20-38-42(31)33-23-28(21-22-36(33)49-38)29-16-9-19-37-41(29)34-24-32-30-15-7-8-18-35(30)50-39(32)25-40(34)51-37;1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)33-18-10-20-37-41(33)32-22-21-28(23-38(32)50-37)29-16-9-17-31-35-24-34-30-15-7-8-19-36(30)49-39(34)25-40(35)51-42(29)31;1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)32-18-10-20-38-41(32)35-23-28(21-22-37(35)49-38)29-16-9-17-31-34-24-33-30-15-7-8-19-36(30)50-39(33)25-40(34)51-42(29)31;1-3-10-26(11-4-1)43-46-44(27-12-5-2-6-13-27)48-45(47-43)32-16-9-15-31-33-22-28(19-21-39(33)51-42(31)32)29-18-20-38-34(23-29)36-24-35-30-14-7-8-17-37(30)49-40(35)25-41(36)50-38;1-3-10-26(11-4-1)43-46-44(27-12-5-2-6-13-27)48-45(47-43)32-15-9-17-38-42(32)31-20-18-29(23-39(31)51-38)28-19-21-37-33(22-28)35-24-34-30-14-7-8-16-36(30)49-40(34)25-41(35)50-37;1-3-10-26(11-4-1)43-46-44(27-12-5-2-6-13-27)48-45(47-43)33-15-9-17-37-42(33)32-21-19-29(23-39(32)50-37)28-18-20-31-35-24-34-30-14-7-8-16-36(30)49-40(34)25-41(35)51-38(31)22-28/h7*1-25H.
What are the key properties of 2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 4589.99 g/mol, XLogP of 85.66, 28 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(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)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 165045497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).