About 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-pyridin-4-yl-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-pyridin-4-yl-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (PubChem CID 157061430) has the molecular formula C167H97N11O4S4
and a molecular weight of 2449.95 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-pyridin-4-yl-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.
Frequently Asked Questions
What is the IUPAC name of 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-pyridin-4-yl-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?
The IUPAC name of 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-pyridin-4-yl-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (CID 157061430) is 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-pyridin-4-yl-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.
What is the SMILES notation for 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-pyridin-4-yl-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?
The canonical SMILES for 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-pyridin-4-yl-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7sc6c6oc7ccccc7c6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7sc6c6oc7ccccc7c6c54)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7sc6c6oc7ccccc7c6c54)cc3)n2)cc1.c1ccc2c(c1)oc1c3sc4ccccc4c3c3c4ccccc4n(-c4ccncc4)c3c21.
What is the InChIKey of 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-pyridin-4-yl-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?
The InChIKey is ABJLOVNSVOZAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2OS.C46H27N3OS.C45H26N4OS.C29H16N2OS/c1-3-13-29(14-4-1)32-27-37(30-15-5-2-6-16-30)48-38(28-32)31-23-25-33(26-24-31)49-39-20-10-7-17-34(39)42-43-36-19-9-12-22-41(36)51-47(43)46-44(45(42)49)35-18-8-11-21-40(35)50-46;1-3-13-28(14-4-1)35-27-36(48-46(47-35)30-15-5-2-6-16-30)29-23-25-31(26-24-29)49-37-20-10-7-17-32(37)40-41-34-19-9-12-22-39(34)51-45(41)44-42(43(40)49)33-18-8-11-21-38(33)50-44;1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)29-23-25-30(26-24-29)49-34-20-10-7-17-31(34)37-38-33-19-9-12-22-36(33)51-42(38)41-39(40(37)49)32-18-8-11-21-35(32)50-41;1-4-10-21-18(7-1)24-25-20-9-3-6-12-23(20)33-29(25)28-26(19-8-2-5-11-22(19)32-28)27(24)31(21)17-13-15-30-16-14-17/h1-28H;1-27H;1-26H;1-16H.
What are the key properties of 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-pyridin-4-yl-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-pyridin-4-yl-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene has a molecular weight of 2449.95 g/mol, XLogP of 46.97, 13 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-pyridin-4-yl-18-oxa-21-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is sourced from PubChem (CID 157061430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).