About 10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzofuran-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzothiophen-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-24-(3-dibenzothiophen-3-ylphenyl)-17-phenyl-17,24-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8,10,12,14,16(25),18,20,22-dodecaene
10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzofuran-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzothiophen-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-24-(3-dibenzothiophen-3-ylphenyl)-17-phenyl-17,24-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8,10,12,14,16(25),18,20,22-dodecaene (PubChem CID 165106096) has the molecular formula C189H110N10O3S2
and a molecular weight of 2633.16 g/mol. Its IUPAC name is 10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzofuran-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzothiophen-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-24-(3-dibenzothiophen-3-ylphenyl)-17-phenyl-17,24-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8,10,12,14,16(25),18,20,22-dodecaene.
Frequently Asked Questions
What is the IUPAC name of 10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzofuran-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzothiophen-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-24-(3-dibenzothiophen-3-ylphenyl)-17-phenyl-17,24-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8,10,12,14,16(25),18,20,22-dodecaene?
The IUPAC name of 10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzofuran-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzothiophen-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-24-(3-dibenzothiophen-3-ylphenyl)-17-phenyl-17,24-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8,10,12,14,16(25),18,20,22-dodecaene (CID 165106096) is 10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzofuran-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzothiophen-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-24-(3-dibenzothiophen-3-ylphenyl)-17-phenyl-17,24-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8,10,12,14,16(25),18,20,22-dodecaene.
What is the SMILES notation for 10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzofuran-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzothiophen-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-24-(3-dibenzothiophen-3-ylphenyl)-17-phenyl-17,24-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8,10,12,14,16(25),18,20,22-dodecaene?
The canonical SMILES for 10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzofuran-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzothiophen-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-24-(3-dibenzothiophen-3-ylphenyl)-17-phenyl-17,24-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8,10,12,14,16(25),18,20,22-dodecaene is c1ccc(N2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3Oc3cc4c5ccc(-c6ccc7c(c6)c6ccccc6c6nc8ccccc8n76)cc5c5ccccc5c4cc32)cc1.c1ccc(N2c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3Oc3cc4c5ccc(-c6ccc7c(c6)c6ccccc6c6nc8ccccc8n76)cc5c5ccccc5c4cc32)cc1.c1ccc(N2c3ccccc3N(c3cccc(-c4ccc5c(c4)sc4ccccc45)c3)c3cc4c5ccc(-c6ccc7c(c6)c6ccccc6c6nc8ccccc8n76)cc5c5ccccc5c4cc32)cc1.
What is the InChIKey of 10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzofuran-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzothiophen-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-24-(3-dibenzothiophen-3-ylphenyl)-17-phenyl-17,24-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8,10,12,14,16(25),18,20,22-dodecaene?
The InChIKey is ZDPLHNKLFIQUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40N4S.C61H35N3O2.C61H35N3OS/c1-2-16-45(17-3-1)69-61-26-11-12-27-62(61)70(46-18-14-15-41(35-46)44-30-33-52-51-22-8-13-28-65(51)72-66(52)38-44)64-40-56-50-32-29-42(36-54(50)47-19-4-5-20-48(47)55(56)39-63(64)69)43-31-34-59-57(37-43)49-21-6-7-23-53(49)67-68-58-24-9-10-25-60(58)71(59)67;1-2-12-40(13-3-1)63-55-29-25-39(38-23-27-46-45-17-8-11-21-57(45)65-58(46)32-38)33-59(55)66-60-35-50-44-26-22-36(30-48(44)41-14-4-5-15-42(41)49(50)34-56(60)63)37-24-28-53-51(31-37)43-16-6-7-18-47(43)61-62-52-19-9-10-20-54(52)64(53)61;1-2-12-40(13-3-1)63-55-29-25-38(39-23-27-46-45-17-8-11-21-59(45)66-60(46)33-39)32-57(55)65-58-35-50-44-26-22-36(30-48(44)41-14-4-5-15-42(41)49(50)34-56(58)63)37-24-28-53-51(31-37)43-16-6-7-18-47(43)61-62-52-19-9-10-20-54(52)64(53)61/h1-40H;2*1-35H.
What are the key properties of 10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzofuran-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzothiophen-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-24-(3-dibenzothiophen-3-ylphenyl)-17-phenyl-17,24-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8,10,12,14,16(25),18,20,22-dodecaene?
10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzofuran-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzothiophen-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-24-(3-dibenzothiophen-3-ylphenyl)-17-phenyl-17,24-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8,10,12,14,16(25),18,20,22-dodecaene has a molecular weight of 2633.16 g/mol, XLogP of 53.80, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzofuran-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-20-dibenzothiophen-3-yl-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,14,16(25),18(23),19,21-dodecaene;5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-24-(3-dibenzothiophen-3-ylphenyl)-17-phenyl-17,24-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8,10,12,14,16(25),18,20,22-dodecaene is sourced from PubChem (CID 165106096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).