About 9-(4-dibenzothiophen-3-ylphenyl)-24-(1,3,5-triazin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;24-phenyl-9-(1-phenylbenzimidazol-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-phenyl-9-(1-phenylbenzimidazol-4-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
9-(4-dibenzothiophen-3-ylphenyl)-24-(1,3,5-triazin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;24-phenyl-9-(1-phenylbenzimidazol-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-phenyl-9-(1-phenylbenzimidazol-4-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (PubChem CID 157344486) has the molecular formula C502H312N44O2S3
and a molecular weight of 7088.53 g/mol. Its IUPAC name is 9-(4-dibenzothiophen-3-ylphenyl)-24-(1,3,5-triazin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;24-phenyl-9-(1-phenylbenzimidazol-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-phenyl-9-(1-phenylbenzimidazol-4-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.
Frequently Asked Questions
What is the IUPAC name of 9-(4-dibenzothiophen-3-ylphenyl)-24-(1,3,5-triazin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;24-phenyl-9-(1-phenylbenzimidazol-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-phenyl-9-(1-phenylbenzimidazol-4-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
The IUPAC name of 9-(4-dibenzothiophen-3-ylphenyl)-24-(1,3,5-triazin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;24-phenyl-9-(1-phenylbenzimidazol-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-phenyl-9-(1-phenylbenzimidazol-4-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (CID 157344486) is 9-(4-dibenzothiophen-3-ylphenyl)-24-(1,3,5-triazin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;24-phenyl-9-(1-phenylbenzimidazol-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-phenyl-9-(1-phenylbenzimidazol-4-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 9-(4-dibenzothiophen-3-ylphenyl)-24-(1,3,5-triazin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;24-phenyl-9-(1-phenylbenzimidazol-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-phenyl-9-(1-phenylbenzimidazol-4-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
The canonical SMILES for 9-(4-dibenzothiophen-3-ylphenyl)-24-(1,3,5-triazin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;24-phenyl-9-(1-phenylbenzimidazol-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-phenyl-9-(1-phenylbenzimidazol-4-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c4c4ccccc4c4c6ccccc6n(-c6ccccc6)c45)nc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4c4ccccc4c4c6ccccc6n(-c6ccccc6)c45)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4c4ccccc4c4c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4c4ccccc4c4c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1.c1ccc(-n2c(-n3c4ccccc4c4c3c3ccccc3c3c5ccccc5n(-c5ccccc5)c34)nc3ccccc32)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4c4c(c5ccccc5n4-c4ccc5cnccc5c4)c32)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4c4c(c5ccccc5n4-c4ccc5ncoc5c4)c32)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4c4c(c5ccccc5n4-c4ccc5ncsc5c4)c32)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4c4c(c5ccccc5n4-c4nc5ccccc5o4)c32)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4c4c(c5ccccc5n4-c4nc5ccccc5s4)c32)cc1.c1ccc(-n2cnc3c(-n4c5ccccc5c5c4c4ccccc4c4c6ccccc6n(-c6ccccc6)c45)cccc32)cc1.c1ccc2c(c1)sc1cc(-c3ccc(-n4c5ccccc5c5c4c4ccccc4c4c6ccccc6n(-c6ncncn6)c45)cc3)ccc12.
What is the InChIKey of 9-(4-dibenzothiophen-3-ylphenyl)-24-(1,3,5-triazin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;24-phenyl-9-(1-phenylbenzimidazol-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-phenyl-9-(1-phenylbenzimidazol-4-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
The InChIKey is BGUGJJAUTXZBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3.2C50H32N4.C49H31N5.C43H25N5S.2C41H26N4.C37H23N3.2C35H21N3O.2C35H21N3S/c1-4-16-34(17-5-1)37-32-44(35-18-6-2-7-19-35)52-45(33-37)36-28-30-39(31-29-36)53-47-27-15-13-25-43(47)49-50(53)41-23-11-10-22-40(41)48-42-24-12-14-26-46(42)54(51(48)49)38-20-8-3-9-21-38;1-4-16-33(17-5-1)42-32-43(34-18-6-2-7-19-34)52-50(51-42)35-28-30-37(31-29-35)53-45-27-15-13-25-41(45)47-48(53)39-23-11-10-22-38(39)46-40-24-12-14-26-44(40)54(49(46)47)36-20-8-3-9-21-36;1-4-16-33(17-5-1)42-30-36(31-43(52-42)34-18-6-2-7-19-34)35-28-29-46(51-32-35)54-45-27-15-13-25-41(45)48-49(54)39-23-11-10-22-38(39)47-40-24-12-14-26-44(40)53(50(47)48)37-20-8-3-9-21-37;1-4-16-32(17-5-1)47-50-48(33-18-6-2-7-19-33)52-49(51-47)34-28-30-36(31-29-34)53-42-27-15-13-25-40(42)44-45(53)38-23-11-10-22-37(38)43-39-24-12-14-26-41(39)54(46(43)44)35-20-8-3-9-21-35;1-2-11-32-31(10-1)39-33-12-3-7-15-36(33)48(43-45-24-44-25-46-43)42(39)40-34-13-4-6-14-35(34)47(41(32)40)28-20-17-26(18-21-28)27-19-22-30-29-9-5-8-16-37(29)49-38(30)23-27;1-3-15-27(16-4-1)43-34-24-12-9-21-31(34)37-29-19-7-8-20-30(29)39-38(40(37)43)32-22-10-13-25-35(32)45(39)41-42-33-23-11-14-26-36(33)44(41)28-17-5-2-6-18-28;1-3-14-27(15-4-1)43-26-42-39-35(43)24-13-25-36(39)45-34-23-12-10-21-32(34)38-40(45)30-19-8-7-18-29(30)37-31-20-9-11-22-33(31)44(41(37)38)28-16-5-2-6-17-28;1-2-10-26(11-3-1)39-32-16-8-6-14-30(32)34-28-12-4-5-13-29(28)36-35(37(34)39)31-15-7-9-17-33(31)40(36)27-19-18-25-23-38-21-20-24(25)22-27;1-2-12-22(13-3-1)37-28-19-9-6-16-25(28)31-23-14-4-5-15-24(23)33-32(34(31)37)26-17-7-10-20-29(26)38(33)35-36-27-18-8-11-21-30(27)39-35;1-2-10-22(11-3-1)37-29-16-8-6-14-26(29)32-24-12-4-5-13-25(24)34-33(35(32)37)27-15-7-9-17-30(27)38(34)23-18-19-28-31(20-23)39-21-36-28;1-2-12-22(13-3-1)37-28-19-9-6-16-25(28)31-23-14-4-5-15-24(23)33-32(34(31)37)26-17-7-10-20-29(26)38(33)35-36-27-18-8-11-21-30(27)39-35;1-2-10-22(11-3-1)37-29-16-8-6-14-26(29)32-24-12-4-5-13-25(24)34-33(35(32)37)27-15-7-9-17-30(27)38(34)23-18-19-28-31(20-23)39-21-36-28/h1-33H;2*1-32H;1-31H;1-25H;2*1-26H;1-23H;4*1-21H.
What are the key properties of 9-(4-dibenzothiophen-3-ylphenyl)-24-(1,3,5-triazin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;24-phenyl-9-(1-phenylbenzimidazol-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-phenyl-9-(1-phenylbenzimidazol-4-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
9-(4-dibenzothiophen-3-ylphenyl)-24-(1,3,5-triazin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;24-phenyl-9-(1-phenylbenzimidazol-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-phenyl-9-(1-phenylbenzimidazol-4-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene has a molecular weight of 7088.53 g/mol, XLogP of 130.52, 39 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzothiophen-3-ylphenyl)-24-(1,3,5-triazin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole;2-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;6-(24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole;24-phenyl-9-(1-phenylbenzimidazol-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-phenyl-9-(1-phenylbenzimidazol-4-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 157344486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).