About 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-3-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-3-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-3-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-3-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene (PubChem CID 163543812) has the molecular formula C222H127N15OS2
and a molecular weight of 3084.70 g/mol. Its IUPAC name is 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-3-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-3-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene.
Frequently Asked Questions
What is the IUPAC name of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-3-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-3-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
The IUPAC name of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-3-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-3-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene (CID 163543812) is 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-3-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-3-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene.
What is the SMILES notation for 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-3-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-3-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
The canonical SMILES for 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-3-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-3-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene is c1ccc(-n2c3ccccc3c3cc(-c4nc5c(ccc6ccccc65)nc4-n4c5ccc6ccccc6c5c5c6c7ccccc7c7ccccc7c6ccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc5ccc6ccccc6c5nc4-n4c5ccc6ccccc6c5c5c6c7ccccc7c7ccccc7c6ccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc5sc6ccccc6c5nc4-n4c5ccc6ccccc6c5c5c6c7ccccc7c7ccccc7c6ccc54)ccc32)cc1.c1ccc2c(c1)ccc1c2c2c3c4ccccc4c4ccccc4c3ccc2n1-c1nc(-c2cccc3c2sc2ccccc23)c2oc3ccccc3c2n1.
What is the InChIKey of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-3-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-3-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
The InChIKey is FDIAEODHNBSLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H34N4.C56H32N4S.C50H27N3OS/c1-2-16-38(17-3-1)61-49-25-13-12-23-44(49)47-34-37(28-31-50(47)61)56-58(59-48-30-26-36-15-5-7-19-40(36)57(48)60-56)62-51-32-27-35-14-4-6-18-39(35)54(51)55-52(62)33-29-46-43-22-9-8-20-41(43)42-21-10-11-24-45(42)53(46)55;1-2-16-38(17-3-1)61-49-25-13-12-23-44(49)47-34-37(28-31-50(47)61)56-58(60-57-40-19-7-5-15-36(40)26-30-48(57)59-56)62-51-32-27-35-14-4-6-18-39(35)54(51)55-52(62)33-29-46-43-22-9-8-20-41(43)42-21-10-11-24-45(42)53(46)55;1-2-15-35(16-3-1)59-45-24-12-10-21-40(45)44-32-34(27-29-46(44)59)53-55(57-54-43-23-11-13-25-49(43)61-56(54)58-53)60-47-30-26-33-14-4-5-17-36(33)51(47)52-48(60)31-28-42-39-20-7-6-18-37(39)38-19-8-9-22-41(38)50(42)52;1-2-13-29-28(12-1)24-26-39-44(29)45-40(27-25-35-32-16-4-3-14-30(32)31-15-5-6-18-34(31)43(35)45)53(39)50-51-46-37-19-7-9-22-41(37)54-48(46)47(52-50)38-21-11-20-36-33-17-8-10-23-42(33)55-49(36)38/h2*1-34H;1-32H;1-27H.
What are the key properties of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-3-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-3-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-3-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-3-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene has a molecular weight of 3084.70 g/mol, XLogP of 59.95, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-3-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-3-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 163543812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).