About 4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-4,16-bis[4-(trifluoromethyl)phenyl]-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12-tetraphenyl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-4,16-bis[4-(trifluoromethyl)phenyl]-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12-tetraphenyl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (PubChem CID 157112003) has the molecular formula C258H158F6N32
and a molecular weight of 3820.31 g/mol. Its IUPAC name is 4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-4,16-bis[4-(trifluoromethyl)phenyl]-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12-tetraphenyl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.
Frequently Asked Questions
What is the IUPAC name of 4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-4,16-bis[4-(trifluoromethyl)phenyl]-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12-tetraphenyl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The IUPAC name of 4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-4,16-bis[4-(trifluoromethyl)phenyl]-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12-tetraphenyl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (CID 157112003) is 4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-4,16-bis[4-(trifluoromethyl)phenyl]-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12-tetraphenyl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.
What is the SMILES notation for 4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-4,16-bis[4-(trifluoromethyl)phenyl]-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12-tetraphenyl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The canonical SMILES for 4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-4,16-bis[4-(trifluoromethyl)phenyl]-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12-tetraphenyl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is FC(F)(F)c1ccc(-c2ncc3c(n2)-c2c(-c4ccccn4)c(-c4ccccn4)c(-c4ccccn4)c(-c4ccccn4)c2-c2cnc(-c4ccc(C(F)(F)F)cc4)nc2-c2c(-c4ccccn4)c(-c4ccccn4)c(-c4ccccn4)c(-c4ccccn4)c2-3)cc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2nccnc2-c2ccccc2-c2nccnc2-3)cc1.c1ccc(-c2c(-c3ccccn3)c(-c3ccccn3)c3c(c2-c2ccccn2)-c2cncnc2-c2c(-c4ccccn4)c(-c4ccccn4)c(-c4ccccn4)c(-c4ccccn4)c2-c2cncnc2-3)nc1.c1ccc(-c2ncc3c(n2)-c2c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c2-c2cnc(-c4ccccc4)nc2-c2c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c2-3)cc1.
What is the InChIKey of 4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-4,16-bis[4-(trifluoromethyl)phenyl]-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12-tetraphenyl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The InChIKey is AGYREUDVURQNGP-FZLXEFRGSA-N. The full InChI is InChI=1S/C80H52N4.C74H42F6N12.C60H36N12.C44H28N4/c1-11-31-53(32-12-1)65-67(55-35-15-3-16-36-55)71(59-43-23-7-24-44-59)75-73(69(65)57-39-19-5-20-40-57)63-51-81-79(61-47-27-9-28-48-61)83-77(63)76-72(60-45-25-8-26-46-60)68(56-37-17-4-18-38-56)66(54-33-13-2-14-34-54)70(58-41-21-6-22-42-58)74(76)64-52-82-80(84-78(64)75)62-49-29-10-30-50-62;75-73(76,77)45-29-25-43(26-30-45)71-89-41-47-57-59(49-17-1-9-33-81-49)61(51-19-3-11-35-83-51)63(53-21-5-13-37-85-53)65(55-23-7-15-39-87-55)67(57)70-48(42-90-72(92-70)44-27-31-46(32-28-44)74(78,79)80)58-60(50-18-2-10-34-82-50)62(52-20-4-12-36-84-52)64(54-22-6-14-38-86-54)66(68(58)69(47)91-71)56-24-8-16-40-88-56;1-9-25-63-39(17-1)49-47-37-33-61-35-71-59(37)58-48(50(40-18-2-10-26-64-40)52(42-20-4-12-28-66-42)54(44-22-6-14-30-68-44)56(58)46-24-8-16-32-70-46)38-34-62-36-72-60(38)57(47)55(45-23-7-15-31-69-45)53(43-21-5-13-29-67-43)51(49)41-19-3-11-27-65-41;1-5-15-29(16-6-1)35-36(30-17-7-2-8-18-30)38(32-21-11-4-12-22-32)40-39(37(35)31-19-9-3-10-20-31)43-41(45-25-27-47-43)33-23-13-14-24-34(33)42-44(40)48-28-26-46-42/h1-52H;1-42H;1-36H;1-28H/b73-63-,74-64-,77-76+,78-75+;57-47-,58-48-,69-68-,70-67-;47-37-,48-38-,59-58-,60-57-;41-33+,42-34+,43-39+,44-40+.
What are the key properties of 4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-4,16-bis[4-(trifluoromethyl)phenyl]-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12-tetraphenyl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-4,16-bis[4-(trifluoromethyl)phenyl]-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12-tetraphenyl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene has a molecular weight of 3820.31 g/mol, XLogP of 62.69, 32 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-4,16-bis[4-(trifluoromethyl)phenyl]-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12-tetraphenyl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is sourced from PubChem (CID 157112003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).