26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene

C228H130N20O6S — CID 163756117

IUPAC26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-n4c5cccc6c7ccccc7c7cccc8oc9ccc4c(c9c87)c65)n3)cccc21.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4cccc5c6ccccc6c6cccc7oc8ccc3c(c8c76)c54)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-n3c4cccc5c6ccccc6c6cccc7oc8ccc3c(c8c76)c54)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c7ccccc7c7cccc8oc9ccc4c(c9c87)c65)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4cccc5c6ccccc6c6cccc7oc8ccc3c(c8c76)c54)n2)cc1
InChIInChI=1S/C48H30N4O.C45H24N4O2.C45H24N4OS.2C45H26N4O/c1-48(2)34-21-9-8-17-32(34)40-33(20-10-22-35(40)48)46-49-45(27-13-4-3-5-14-27)50-47(51-46)52-36-23-11-18-30-28-15-6-7-16-29(28)31-19-12-24-38-42(31)44-39(53-38)26-25-37(52)43(44)41(30)36;1-2-11-25(12-3-1)43-46-44(31-18-10-21-35-38(31)30-15-6-7-20-34(30)50-35)48-45(47-43)49-32-19-8-16-28-26-13-4-5-14-27(26)29-17-9-22-36-40(29)42-37(51-36)24-23-33(49)41(42)39(28)32;1-2-11-25(12-3-1)43-46-44(31-18-10-22-37-38(31)30-15-6-7-21-36(30)51-37)48-45(47-43)49-32-19-8-16-28-26-13-4-5-14-27(26)29-17-9-20-34-40(29)42-35(50-34)24-23-33(49)41(42)39(28)32;1-3-11-27(12-4-1)43-46-44(28-13-5-2-6-14-28)48-45(47-43)29-21-23-30(24-22-29)49-35-19-9-17-33-31-15-7-8-16-32(31)34-18-10-20-37-40(34)42-38(50-37)26-25-36(49)41(42)39(33)35;1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)33-19-9-10-22-34(33)49-35-23-11-20-31-29-17-7-8-18-30(29)32-21-12-24-37-40(32)42-38(50-37)26-25-36(49)41(42)39(31)35/h3-26H,1-2H3;2*1-24H;2*1-26H/b30-28-,31-29-;2*28-26-,29-27-;33-31-,34-32-;31-29-,32-30-
InChIKeyLUEVUHURACXULX-ANKHWVRGSA-N
MW3277.75 g/mol
LogP59.64
Rot. Bonds17

About 26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene

26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene (PubChem CID 163756117) has the molecular formula C228H130N20O6S and a molecular weight of 3277.75 g/mol. Its IUPAC name is 26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene.

Molecular Properties

Compound Name26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
PubChem CID163756117
Molecular FormulaC228H130N20O6S
Molecular Weight3277.75 g/mol
Exact Mass3275.02
IUPAC Name26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-n4c5cccc6c7ccccc7c7cccc8oc9ccc4c(c9c87)c65)n3)cccc21.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4cccc5c6ccccc6c6cccc7oc8ccc3c(c8c76)c54)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-n3c4cccc5c6ccccc6c6cccc7oc8ccc3c(c8c76)c54)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c7ccccc7c7cccc8oc9ccc4c(c9c87)c65)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4cccc5c6ccccc6c6cccc7oc8ccc3c(c8c76)c54)n2)cc1
InChIInChI=1S/C48H30N4O.C45H24N4O2.C45H24N4OS.2C45H26N4O/c1-48(2)34-21-9-8-17-32(34)40-33(20-10-22-35(40)48)46-49-45(27-13-4-3-5-14-27)50-47(51-46)52-36-23-11-18-30-28-15-6-7-16-29(28)31-19-12-24-38-42(31)44-39(53-38)26-25-37(52)43(44)41(30)36;1-2-11-25(12-3-1)43-46-44(31-18-10-21-35-38(31)30-15-6-7-20-34(30)50-35)48-45(47-43)49-32-19-8-16-28-26-13-4-5-14-27(26)29-17-9-22-36-40(29)42-37(51-36)24-23-33(49)41(42)39(28)32;1-2-11-25(12-3-1)43-46-44(31-18-10-22-37-38(31)30-15-6-7-21-36(30)51-37)48-45(47-43)49-32-19-8-16-28-26-13-4-5-14-27(26)29-17-9-20-34-40(29)42-35(50-34)24-23-33(49)41(42)39(28)32;1-3-11-27(12-4-1)43-46-44(28-13-5-2-6-14-28)48-45(47-43)29-21-23-30(24-22-29)49-35-19-9-17-33-31-15-7-8-16-32(31)34-18-10-20-37-40(34)42-38(50-37)26-25-36(49)41(42)39(33)35;1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)33-19-9-10-22-34(33)49-35-23-11-20-31-29-17-7-8-18-30(29)32-21-12-24-37-40(32)42-38(50-37)26-25-36(49)41(42)39(31)35/h3-26H,1-2H3;2*1-24H;2*1-26H/b30-28-,31-29-;2*28-26-,29-27-;33-31-,34-32-;31-29-,32-30-
InChIKeyLUEVUHURACXULX-ANKHWVRGSA-N
XLogP59.64
TPSA296.84 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms255
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003277.75
LogP ≤ 559.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?
The IUPAC name of 26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene (CID 163756117) is 26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene.
What is the SMILES notation for 26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?
The canonical SMILES for 26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-n4c5cccc6c7ccccc7c7cccc8oc9ccc4c(c9c87)c65)n3)cccc21.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4cccc5c6ccccc6c6cccc7oc8ccc3c(c8c76)c54)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-n3c4cccc5c6ccccc6c6cccc7oc8ccc3c(c8c76)c54)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c7ccccc7c7cccc8oc9ccc4c(c9c87)c65)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4cccc5c6ccccc6c6cccc7oc8ccc3c(c8c76)c54)n2)cc1.
What is the InChIKey of 26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?
The InChIKey is LUEVUHURACXULX-ANKHWVRGSA-N. The full InChI is InChI=1S/C48H30N4O.C45H24N4O2.C45H24N4OS.2C45H26N4O/c1-48(2)34-21-9-8-17-32(34)40-33(20-10-22-35(40)48)46-49-45(27-13-4-3-5-14-27)50-47(51-46)52-36-23-11-18-30-28-15-6-7-16-29(28)31-19-12-24-38-42(31)44-39(53-38)26-25-37(52)43(44)41(30)36;1-2-11-25(12-3-1)43-46-44(31-18-10-21-35-38(31)30-15-6-7-20-34(30)50-35)48-45(47-43)49-32-19-8-16-28-26-13-4-5-14-27(26)29-17-9-22-36-40(29)42-37(51-36)24-23-33(49)41(42)39(28)32;1-2-11-25(12-3-1)43-46-44(31-18-10-22-37-38(31)30-15-6-7-21-36(30)51-37)48-45(47-43)49-32-19-8-16-28-26-13-4-5-14-27(26)29-17-9-20-34-40(29)42-35(50-34)24-23-33(49)41(42)39(28)32;1-3-11-27(12-4-1)43-46-44(28-13-5-2-6-14-28)48-45(47-43)29-21-23-30(24-22-29)49-35-19-9-17-33-31-15-7-8-16-32(31)34-18-10-20-37-40(34)42-38(50-37)26-25-36(49)41(42)39(33)35;1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)33-19-9-10-22-34(33)49-35-23-11-20-31-29-17-7-8-18-30(29)32-21-12-24-37-40(32)42-38(50-37)26-25-36(49)41(42)39(31)35/h3-26H,1-2H3;2*1-24H;2*1-26H/b30-28-,31-29-;2*28-26-,29-27-;33-31-,34-32-;31-29-,32-30-.
What are the key properties of 26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?
26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene has a molecular weight of 3277.75 g/mol, XLogP of 59.64, 17 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 26-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene is sourced from PubChem (CID 163756117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).