About 25-(4,6-diphenyl-2-pyridinyl)-8,8-dimethyl-23-oxa-26-azahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(26),2,4,6,9,11,13,15,17,19,21,24-dodecaene;14-(4,6-diphenyl-2-pyridinyl)-25-phenyl-23-thia-14,20-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17(22),18,20,25-dodecaene;8,24-diphenyl-3,8,13,24-tetrazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2(7),3,5,9(14),10,12,16,18,20,22,25-dodecaene;14-phenyl-25-(4-phenylquinazolin-2-yl)-4,14,25-triazahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2(7),3,5,8,10,12,16,18(26),19,21,23-dodecaene
25-(4,6-diphenyl-2-pyridinyl)-8,8-dimethyl-23-oxa-26-azahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(26),2,4,6,9,11,13,15,17,19,21,24-dodecaene;14-(4,6-diphenyl-2-pyridinyl)-25-phenyl-23-thia-14,20-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17(22),18,20,25-dodecaene;8,24-diphenyl-3,8,13,24-tetrazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2(7),3,5,9(14),10,12,16,18,20,22,25-dodecaene;14-phenyl-25-(4-phenylquinazolin-2-yl)-4,14,25-triazahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2(7),3,5,8,10,12,16,18(26),19,21,23-dodecaene (PubChem CID 158061644) has the molecular formula C166H108N14OS
and a molecular weight of 2346.85 g/mol. Its IUPAC name is 25-(4,6-diphenyl-2-pyridinyl)-8,8-dimethyl-23-oxa-26-azahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(26),2,4,6,9,11,13,15,17,19,21,24-dodecaene;14-(4,6-diphenyl-2-pyridinyl)-25-phenyl-23-thia-14,20-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17(22),18,20,25-dodecaene;8,24-diphenyl-3,8,13,24-tetrazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2(7),3,5,9(14),10,12,16,18,20,22,25-dodecaene;14-phenyl-25-(4-phenylquinazolin-2-yl)-4,14,25-triazahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2(7),3,5,8,10,12,16,18(26),19,21,23-dodecaene.
Frequently Asked Questions
What is the IUPAC name of 25-(4,6-diphenyl-2-pyridinyl)-8,8-dimethyl-23-oxa-26-azahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(26),2,4,6,9,11,13,15,17,19,21,24-dodecaene;14-(4,6-diphenyl-2-pyridinyl)-25-phenyl-23-thia-14,20-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17(22),18,20,25-dodecaene;8,24-diphenyl-3,8,13,24-tetrazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2(7),3,5,9(14),10,12,16,18,20,22,25-dodecaene;14-phenyl-25-(4-phenylquinazolin-2-yl)-4,14,25-triazahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2(7),3,5,8,10,12,16,18(26),19,21,23-dodecaene?
The IUPAC name of 25-(4,6-diphenyl-2-pyridinyl)-8,8-dimethyl-23-oxa-26-azahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(26),2,4,6,9,11,13,15,17,19,21,24-dodecaene;14-(4,6-diphenyl-2-pyridinyl)-25-phenyl-23-thia-14,20-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17(22),18,20,25-dodecaene;8,24-diphenyl-3,8,13,24-tetrazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2(7),3,5,9(14),10,12,16,18,20,22,25-dodecaene;14-phenyl-25-(4-phenylquinazolin-2-yl)-4,14,25-triazahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2(7),3,5,8,10,12,16,18(26),19,21,23-dodecaene (CID 158061644) is 25-(4,6-diphenyl-2-pyridinyl)-8,8-dimethyl-23-oxa-26-azahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(26),2,4,6,9,11,13,15,17,19,21,24-dodecaene;14-(4,6-diphenyl-2-pyridinyl)-25-phenyl-23-thia-14,20-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17(22),18,20,25-dodecaene;8,24-diphenyl-3,8,13,24-tetrazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2(7),3,5,9(14),10,12,16,18,20,22,25-dodecaene;14-phenyl-25-(4-phenylquinazolin-2-yl)-4,14,25-triazahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2(7),3,5,8,10,12,16,18(26),19,21,23-dodecaene.
What is the SMILES notation for 25-(4,6-diphenyl-2-pyridinyl)-8,8-dimethyl-23-oxa-26-azahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(26),2,4,6,9,11,13,15,17,19,21,24-dodecaene;14-(4,6-diphenyl-2-pyridinyl)-25-phenyl-23-thia-14,20-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17(22),18,20,25-dodecaene;8,24-diphenyl-3,8,13,24-tetrazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2(7),3,5,9(14),10,12,16,18,20,22,25-dodecaene;14-phenyl-25-(4-phenylquinazolin-2-yl)-4,14,25-triazahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2(7),3,5,8,10,12,16,18(26),19,21,23-dodecaene?
The canonical SMILES for 25-(4,6-diphenyl-2-pyridinyl)-8,8-dimethyl-23-oxa-26-azahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(26),2,4,6,9,11,13,15,17,19,21,24-dodecaene;14-(4,6-diphenyl-2-pyridinyl)-25-phenyl-23-thia-14,20-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17(22),18,20,25-dodecaene;8,24-diphenyl-3,8,13,24-tetrazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2(7),3,5,9(14),10,12,16,18,20,22,25-dodecaene;14-phenyl-25-(4-phenylquinazolin-2-yl)-4,14,25-triazahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2(7),3,5,8,10,12,16,18(26),19,21,23-dodecaene is CC1(C)c2ccccc2-c2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)c3oc4ccccc4c3c2-c2ccccc21.c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4-c4ccccc4-c4cc(-c5ccccc5)c5sc6cnccc6c5c43)c2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(c43)-c3cnccc3-c3ccccc3N5c3ccccc3)nc3ccccc23)cc1.c1ccc(N2c3cccnc3-c3cc4c5ccccc5n(-c5ccccc5)c4cc3-c3ncccc32)cc1.
What is the InChIKey of 25-(4,6-diphenyl-2-pyridinyl)-8,8-dimethyl-23-oxa-26-azahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(26),2,4,6,9,11,13,15,17,19,21,24-dodecaene;14-(4,6-diphenyl-2-pyridinyl)-25-phenyl-23-thia-14,20-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17(22),18,20,25-dodecaene;8,24-diphenyl-3,8,13,24-tetrazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2(7),3,5,9(14),10,12,16,18,20,22,25-dodecaene;14-phenyl-25-(4-phenylquinazolin-2-yl)-4,14,25-triazahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2(7),3,5,8,10,12,16,18(26),19,21,23-dodecaene?
The InChIKey is FKSKOMACLRHTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3S.C43H27N5.C43H30N2O.C34H22N4/c1-4-14-30(15-5-1)33-26-40(32-18-8-3-9-19-32)48-43(27-33)49-41-23-13-12-22-36(41)34-20-10-11-21-35(34)39-28-38(31-16-6-2-7-17-31)46-44(45(39)49)37-24-25-47-29-42(37)50-46;1-3-13-28(14-4-1)41-34-19-7-10-20-36(34)45-43(46-41)48-38-22-12-9-18-32(38)33-23-24-39-40(42(33)48)35-27-44-26-25-30(35)31-17-8-11-21-37(31)47(39)29-15-5-2-6-16-29;1-43(2)33-22-12-9-19-30(33)38-39-32-21-11-14-24-37(32)46-42(39)41(45-40(38)31-20-10-13-23-34(31)43)36-26-29(27-15-5-3-6-16-27)25-35(44-36)28-17-7-4-8-18-28;1-3-11-23(12-4-1)37-29-16-8-7-15-25(29)26-21-27-28(22-32(26)37)34-31(18-10-20-36-34)38(24-13-5-2-6-14-24)30-17-9-19-35-33(27)30/h1-29H;1-27H;3-26H,1-2H3;1-22H.
What are the key properties of 25-(4,6-diphenyl-2-pyridinyl)-8,8-dimethyl-23-oxa-26-azahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(26),2,4,6,9,11,13,15,17,19,21,24-dodecaene;14-(4,6-diphenyl-2-pyridinyl)-25-phenyl-23-thia-14,20-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17(22),18,20,25-dodecaene;8,24-diphenyl-3,8,13,24-tetrazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2(7),3,5,9(14),10,12,16,18,20,22,25-dodecaene;14-phenyl-25-(4-phenylquinazolin-2-yl)-4,14,25-triazahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2(7),3,5,8,10,12,16,18(26),19,21,23-dodecaene?
25-(4,6-diphenyl-2-pyridinyl)-8,8-dimethyl-23-oxa-26-azahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(26),2,4,6,9,11,13,15,17,19,21,24-dodecaene;14-(4,6-diphenyl-2-pyridinyl)-25-phenyl-23-thia-14,20-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17(22),18,20,25-dodecaene;8,24-diphenyl-3,8,13,24-tetrazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2(7),3,5,9(14),10,12,16,18,20,22,25-dodecaene;14-phenyl-25-(4-phenylquinazolin-2-yl)-4,14,25-triazahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2(7),3,5,8,10,12,16,18(26),19,21,23-dodecaene has a molecular weight of 2346.85 g/mol, XLogP of 43.91, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 25-(4,6-diphenyl-2-pyridinyl)-8,8-dimethyl-23-oxa-26-azahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(26),2,4,6,9,11,13,15,17,19,21,24-dodecaene;14-(4,6-diphenyl-2-pyridinyl)-25-phenyl-23-thia-14,20-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17(22),18,20,25-dodecaene;8,24-diphenyl-3,8,13,24-tetrazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2(7),3,5,9(14),10,12,16,18,20,22,25-dodecaene;14-phenyl-25-(4-phenylquinazolin-2-yl)-4,14,25-triazahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-1(15),2(7),3,5,8,10,12,16,18(26),19,21,23-dodecaene is sourced from PubChem (CID 158061644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).