About 12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-oxa-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-thia-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzoxasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole
12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-oxa-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-thia-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzoxasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 160563863) has the molecular formula C233H154N40O3S3Si2
and a molecular weight of 3714.44 g/mol. Its IUPAC name is 12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-oxa-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-thia-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzoxasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole.
Frequently Asked Questions
What is the IUPAC name of 12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-oxa-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-thia-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzoxasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-oxa-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-thia-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzoxasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole (CID 160563863) is 12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-oxa-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-thia-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzoxasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-oxa-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-thia-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzoxasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-oxa-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-thia-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzoxasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole is Cc1cc(-n2c3ccccc3n3c4cccc(C)c4nc23)cc2c1nc1oc3ncc(-n4c5ccccc5n5c6cccc(C)c6nc45)cc3n12.Cc1cc(-n2c3ccccc3n3c4cccc(C)c4nc23)cc2c1nc1sc3ncc(-n4c5ccccc5n5c6cccc(C)c6nc45)cc3n12.Cc1cccc2c1nc1n(-c3cc(C)c4nc5n(-c6ccccc6)c6ncc(-n7c8ccccc8n8c9cccc(C)c9nc78)cc6n5c4c3)c3ccccc3n21.Cc1cccc2c1nc1n(-c3ccc4c(c3)Oc3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3[Si]43c4ccccc4Oc4ccccc43)c3ccccc3n21.Cc1cccc2c1nc1n(-c3ccc4c(c3)Sc3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3[Si]43c4ccccc4Sc4ccccc43)c3ccccc3n21.
What is the InChIKey of 12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-oxa-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-thia-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzoxasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is QZRAENOPQCQJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N6O2Si.C52H34N6S2Si.C47H32N10.C41H27N9O.C41H27N9S/c2*1-31-13-11-19-39-49(31)53-51-55(35-15-3-5-17-37(35)57(39)51)33-25-27-47-43(29-33)60-44-30-34(56-36-16-4-6-18-38(36)58-40-20-12-14-32(2)50(40)54-52(56)58)26-28-48(44)61(47)45-23-9-7-21-41(45)59-42-22-8-10-24-46(42)61;1-27-13-11-21-37-41(27)49-45-52(33-17-7-9-19-35(33)55(37)45)31-23-29(3)43-39(24-31)57-40-25-32(26-48-44(40)54(47(57)51-43)30-15-5-4-6-16-30)53-34-18-8-10-20-36(34)56-38-22-12-14-28(2)42(38)50-46(53)56;2*1-22-10-8-16-31-35(22)43-39-46(27-12-4-6-14-29(27)48(31)39)25-18-24(3)37-33(19-25)50-34-20-26(21-42-38(34)51-41(50)45-37)47-28-13-5-7-15-30(28)49-32-17-9-11-23(2)36(32)44-40(47)49/h2*3-30H,1-2H3;4-26H,1-3H3;2*4-21H,1-3H3.
What are the key properties of 12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-oxa-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-thia-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzoxasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole?
12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-oxa-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-thia-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzoxasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 3714.44 g/mol, XLogP of 48.28, 11 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-oxa-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-phenyl-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;12-methyl-4,14-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-8-thia-1,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11(16),12,14-heptaene;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzoxasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 160563863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).