About 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]propan-2-yl]-13,13-dimethyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2(7),3,5,8(21),9,11,15,17,19-nonaene
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]propan-2-yl]-13,13-dimethyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2(7),3,5,8(21),9,11,15,17,19-nonaene (PubChem CID 161054552) has the molecular formula C226H162N24
and a molecular weight of 3213.95 g/mol. Its IUPAC name is 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]propan-2-yl]-13,13-dimethyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2(7),3,5,8(21),9,11,15,17,19-nonaene.
Frequently Asked Questions
What is the IUPAC name of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]propan-2-yl]-13,13-dimethyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2(7),3,5,8(21),9,11,15,17,19-nonaene?
The IUPAC name of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]propan-2-yl]-13,13-dimethyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2(7),3,5,8(21),9,11,15,17,19-nonaene (CID 161054552) is 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]propan-2-yl]-13,13-dimethyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2(7),3,5,8(21),9,11,15,17,19-nonaene.
What is the SMILES notation for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]propan-2-yl]-13,13-dimethyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2(7),3,5,8(21),9,11,15,17,19-nonaene?
The canonical SMILES for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]propan-2-yl]-13,13-dimethyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2(7),3,5,8(21),9,11,15,17,19-nonaene is CC1(C)Cc2ccccc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(C(C)(C)c4cc5c6c(c4)c4cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc4n6-c4ccccc4C5(C)C)cc1c32.CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4cc5c6c(c4)c4ccccc4n6-c4ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc4C5(C)C)cc1c32.CC1(C)c2ccccc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5cc6c7c(c5)c5cc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)ccc5n7-c5ccccc5C6(C)C)c4)cc1c32.
What is the InChIKey of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]propan-2-yl]-13,13-dimethyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2(7),3,5,8(21),9,11,15,17,19-nonaene?
The InChIKey is UCONDXMIKYPWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54N8.C76H58N8.C72H50N8/c1-77(2)61-32-17-19-34-67(61)85-65-38-36-53(75-81-71(47-22-9-5-10-23-47)79-72(82-75)48-24-11-6-12-25-48)41-57(65)59-43-55(45-63(77)69(59)85)51-30-21-31-52(40-51)56-44-60-58-42-54(37-39-66(58)86-68-35-20-18-33-62(68)78(3,4)64(46-56)70(60)86)76-83-73(49-26-13-7-14-27-49)80-74(84-76)50-28-15-8-16-29-50;1-74(2)45-52-31-19-21-33-62(52)83-63-37-35-50(72-79-68(46-23-11-7-12-24-46)77-69(80-72)47-25-13-8-14-26-47)39-55(63)57-41-53(43-60(74)66(57)83)75(3,4)54-42-58-56-40-51(36-38-64(56)84-65-34-22-20-32-59(65)76(5,6)61(44-54)67(58)84)73-81-70(48-27-15-9-16-28-48)78-71(82-73)49-29-17-10-18-30-49;1-71(2)55-39-47(69-75-65(43-21-9-5-10-22-43)73-66(76-69)44-23-11-6-12-24-44)33-35-61(55)79-59-31-19-17-29-51(59)53-37-49(41-57(71)63(53)79)50-38-54-52-30-18-20-32-60(52)80-62-36-34-48(40-56(62)72(3,4)58(42-50)64(54)80)70-77-67(45-25-13-7-14-26-45)74-68(78-70)46-27-15-8-16-28-46/h5-46H,1-4H3;7-44H,45H2,1-6H3;5-42H,1-4H3.
What are the key properties of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]propan-2-yl]-13,13-dimethyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2(7),3,5,8(21),9,11,15,17,19-nonaene?
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]propan-2-yl]-13,13-dimethyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2(7),3,5,8(21),9,11,15,17,19-nonaene has a molecular weight of 3213.95 g/mol, XLogP of 54.12, 23 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]propan-2-yl]-13,13-dimethyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2(7),3,5,8(21),9,11,15,17,19-nonaene is sourced from PubChem (CID 161054552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).