About 20-dibenzofuran-1-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;20-dibenzothiophen-2-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;4-phenyl-42-oxa-3,5,43-triazadecacyclo[22.15.1.12,6.111,14.113,17.07,12.018,23.025,38.026,31.032,37]tritetraconta-1(39),2,4,6(43),7(12),8,10,13,15,17(41),18,20,22,24(40),25(38),26,28,30,32,34,36-henicosaene;10-phenyl-20-(2-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;10-phenyl-20-(3-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene
20-dibenzofuran-1-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;20-dibenzothiophen-2-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;4-phenyl-42-oxa-3,5,43-triazadecacyclo[22.15.1.12,6.111,14.113,17.07,12.018,23.025,38.026,31.032,37]tritetraconta-1(39),2,4,6(43),7(12),8,10,13,15,17(41),18,20,22,24(40),25(38),26,28,30,32,34,36-henicosaene;10-phenyl-20-(2-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;10-phenyl-20-(3-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene (PubChem CID 159119733) has the molecular formula C225H129N15O6S
and a molecular weight of 3170.67 g/mol. Its IUPAC name is 20-dibenzofuran-1-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;20-dibenzothiophen-2-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;4-phenyl-42-oxa-3,5,43-triazadecacyclo[22.15.1.12,6.111,14.113,17.07,12.018,23.025,38.026,31.032,37]tritetraconta-1(39),2,4,6(43),7(12),8,10,13,15,17(41),18,20,22,24(40),25(38),26,28,30,32,34,36-henicosaene;10-phenyl-20-(2-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;10-phenyl-20-(3-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene.
Frequently Asked Questions
What is the IUPAC name of 20-dibenzofuran-1-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;20-dibenzothiophen-2-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;4-phenyl-42-oxa-3,5,43-triazadecacyclo[22.15.1.12,6.111,14.113,17.07,12.018,23.025,38.026,31.032,37]tritetraconta-1(39),2,4,6(43),7(12),8,10,13,15,17(41),18,20,22,24(40),25(38),26,28,30,32,34,36-henicosaene;10-phenyl-20-(2-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;10-phenyl-20-(3-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene?
The IUPAC name of 20-dibenzofuran-1-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;20-dibenzothiophen-2-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;4-phenyl-42-oxa-3,5,43-triazadecacyclo[22.15.1.12,6.111,14.113,17.07,12.018,23.025,38.026,31.032,37]tritetraconta-1(39),2,4,6(43),7(12),8,10,13,15,17(41),18,20,22,24(40),25(38),26,28,30,32,34,36-henicosaene;10-phenyl-20-(2-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;10-phenyl-20-(3-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene (CID 159119733) is 20-dibenzofuran-1-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;20-dibenzothiophen-2-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;4-phenyl-42-oxa-3,5,43-triazadecacyclo[22.15.1.12,6.111,14.113,17.07,12.018,23.025,38.026,31.032,37]tritetraconta-1(39),2,4,6(43),7(12),8,10,13,15,17(41),18,20,22,24(40),25(38),26,28,30,32,34,36-henicosaene;10-phenyl-20-(2-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;10-phenyl-20-(3-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene.
What is the SMILES notation for 20-dibenzofuran-1-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;20-dibenzothiophen-2-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;4-phenyl-42-oxa-3,5,43-triazadecacyclo[22.15.1.12,6.111,14.113,17.07,12.018,23.025,38.026,31.032,37]tritetraconta-1(39),2,4,6(43),7(12),8,10,13,15,17(41),18,20,22,24(40),25(38),26,28,30,32,34,36-henicosaene;10-phenyl-20-(2-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;10-phenyl-20-(3-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene?
The canonical SMILES for 20-dibenzofuran-1-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;20-dibenzothiophen-2-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;4-phenyl-42-oxa-3,5,43-triazadecacyclo[22.15.1.12,6.111,14.113,17.07,12.018,23.025,38.026,31.032,37]tritetraconta-1(39),2,4,6(43),7(12),8,10,13,15,17(41),18,20,22,24(40),25(38),26,28,30,32,34,36-henicosaene;10-phenyl-20-(2-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;10-phenyl-20-(3-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene is c1ccc(-c2cccc(-c3ccc4c5ccc6oc7cccc(c8nc(-c9ccccc9)nc(n8)c8cccc(c8)c4c3)c7c6c5)c2)cc1.c1ccc(-c2nc3nc(n2)c2cccc4oc5ccc(cc5c42)c2ccc(-c4ccc5sc6ccccc6c5c4)cc2c2cccc3c2)cc1.c1ccc(-c2nc3nc(n2)c2cccc4oc5ccc(cc5c42)c2ccc(-c4cccc5oc6ccccc6c45)cc2c2cccc3c2)cc1.c1ccc(-c2nc3nc(n2)c2cccc4oc5ccc(cc5c42)c2ccc(-c4ccccc4-c4ccccc4)cc2c2cccc3c2)cc1.c1ccc(-c2nc3nc(n2)c2cccc4oc5ccc(cc5c42)c2ccccc2c2cc3cc3c4ccccc4c4ccccc4c23)cc1.
What is the InChIKey of 20-dibenzofuran-1-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;20-dibenzothiophen-2-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;4-phenyl-42-oxa-3,5,43-triazadecacyclo[22.15.1.12,6.111,14.113,17.07,12.018,23.025,38.026,31.032,37]tritetraconta-1(39),2,4,6(43),7(12),8,10,13,15,17(41),18,20,22,24(40),25(38),26,28,30,32,34,36-henicosaene;10-phenyl-20-(2-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;10-phenyl-20-(3-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene?
The InChIKey is KFNQZYRRRIEPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N3O2.C45H25N3OS.C45H25N3O.2C45H27N3O/c1-2-9-26(10-3-1)43-46-44-30-12-6-11-27(23-30)35-24-29(32-14-7-17-39-41(32)33-13-4-5-16-37(33)49-39)19-21-31(35)28-20-22-38-36(25-28)42-34(45(47-43)48-44)15-8-18-40(42)50-38;1-2-8-26(9-3-1)43-46-44-31-11-6-10-29(22-31)35-23-27(28-18-21-41-36(24-28)33-12-4-5-15-40(33)50-41)16-19-32(35)30-17-20-38-37(25-30)42-34(45(47-43)48-44)13-7-14-39(42)49-38;1-2-11-26(12-3-1)43-46-44-28-24-36(41-34-18-9-8-16-32(34)31-15-6-7-17-33(31)37(41)25-28)30-14-5-4-13-29(30)27-21-22-39-38(23-27)42-35(45(47-43)48-44)19-10-20-40(42)49-39;1-3-10-28(11-4-1)30-14-7-15-31(24-30)32-20-22-36-34-21-23-40-39(27-34)42-37(18-9-19-41(42)49-40)45-47-43(29-12-5-2-6-13-29)46-44(48-45)35-17-8-16-33(25-35)38(36)26-32;1-3-11-28(12-4-1)34-17-7-8-18-35(34)31-21-23-36-32-22-24-40-39(27-32)42-37(19-10-20-41(42)49-40)45-47-43(29-13-5-2-6-14-29)46-44(48-45)33-16-9-15-30(25-33)38(36)26-31/h2*1-25H;1-25H;2*1-27H.
What are the key properties of 20-dibenzofuran-1-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;20-dibenzothiophen-2-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;4-phenyl-42-oxa-3,5,43-triazadecacyclo[22.15.1.12,6.111,14.113,17.07,12.018,23.025,38.026,31.032,37]tritetraconta-1(39),2,4,6(43),7(12),8,10,13,15,17(41),18,20,22,24(40),25(38),26,28,30,32,34,36-henicosaene;10-phenyl-20-(2-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;10-phenyl-20-(3-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene?
20-dibenzofuran-1-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;20-dibenzothiophen-2-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;4-phenyl-42-oxa-3,5,43-triazadecacyclo[22.15.1.12,6.111,14.113,17.07,12.018,23.025,38.026,31.032,37]tritetraconta-1(39),2,4,6(43),7(12),8,10,13,15,17(41),18,20,22,24(40),25(38),26,28,30,32,34,36-henicosaene;10-phenyl-20-(2-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;10-phenyl-20-(3-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene has a molecular weight of 3170.67 g/mol, XLogP of 60.79, 11 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 20-dibenzofuran-1-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;20-dibenzothiophen-2-yl-10-phenyl-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;4-phenyl-42-oxa-3,5,43-triazadecacyclo[22.15.1.12,6.111,14.113,17.07,12.018,23.025,38.026,31.032,37]tritetraconta-1(39),2,4,6(43),7(12),8,10,13,15,17(41),18,20,22,24(40),25(38),26,28,30,32,34,36-henicosaene;10-phenyl-20-(2-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene;10-phenyl-20-(3-phenylphenyl)-29-oxa-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18(23),19,21,24(28),25-pentadecaene is sourced from PubChem (CID 159119733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).