About 5-[8,14-bis[2,4,6-tri(propan-2-yl)phenyl]-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dithia-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;2,8-dimethyl-10,10-diphenyl-5-(8,14,22-triphenyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzo[b][1,4]benzazasiline
5-[8,14-bis[2,4,6-tri(propan-2-yl)phenyl]-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dithia-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;2,8-dimethyl-10,10-diphenyl-5-(8,14,22-triphenyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzo[b][1,4]benzazasiline (PubChem CID 159369535) has the molecular formula C236H193B5N10O2S2Si4
and a molecular weight of 3431.75 g/mol. Its IUPAC name is 5-[8,14-bis[2,4,6-tri(propan-2-yl)phenyl]-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dithia-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;2,8-dimethyl-10,10-diphenyl-5-(8,14,22-triphenyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzo[b][1,4]benzazasiline.
Frequently Asked Questions
What is the IUPAC name of 5-[8,14-bis[2,4,6-tri(propan-2-yl)phenyl]-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dithia-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;2,8-dimethyl-10,10-diphenyl-5-(8,14,22-triphenyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzo[b][1,4]benzazasiline?
The IUPAC name of 5-[8,14-bis[2,4,6-tri(propan-2-yl)phenyl]-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dithia-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;2,8-dimethyl-10,10-diphenyl-5-(8,14,22-triphenyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzo[b][1,4]benzazasiline (CID 159369535) is 5-[8,14-bis[2,4,6-tri(propan-2-yl)phenyl]-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dithia-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;2,8-dimethyl-10,10-diphenyl-5-(8,14,22-triphenyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzo[b][1,4]benzazasiline.
What is the SMILES notation for 5-[8,14-bis[2,4,6-tri(propan-2-yl)phenyl]-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dithia-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;2,8-dimethyl-10,10-diphenyl-5-(8,14,22-triphenyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzo[b][1,4]benzazasiline?
The canonical SMILES for 5-[8,14-bis[2,4,6-tri(propan-2-yl)phenyl]-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dithia-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;2,8-dimethyl-10,10-diphenyl-5-(8,14,22-triphenyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzo[b][1,4]benzazasiline is Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1cc2c3c(c1)N(c1ccccc1)c1cccc4c1B3c1c(cccc1N2c1ccccc1)N4c1ccccc1.Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1cc2c3c(c1)N(c1ccccc1)c1cccc4c1B3c1c(cccc1O2)O4.Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1cc2c3c(c1)N(c1ccccc1)c1cccc4c1B3c1c(cccc1S2)S4.Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc2c(c1)N1c3ccccc3B(c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3cccc(c31)B2c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of 5-[8,14-bis[2,4,6-tri(propan-2-yl)phenyl]-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dithia-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;2,8-dimethyl-10,10-diphenyl-5-(8,14,22-triphenyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzo[b][1,4]benzazasiline?
The InChIKey is LJOLEPZBKNIGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H78B2N2Si.C62H45BN4Si.C50H35BN2O2Si.C50H35BN2S2Si/c1-45(2)53-40-58(47(5)6)72(59(41-53)48(7)8)75-62-28-21-22-31-66(62)78-69-44-55(34-35-63(69)76(65-30-23-29-64(75)74(65)78)73-60(49(9)10)42-54(46(3)4)43-61(73)50(11)12)77-67-36-32-51(13)38-70(67)79(56-24-17-15-18-25-56,57-26-19-16-20-27-57)71-39-52(14)33-37-68(71)77;1-42-34-36-50-58(38-42)68(48-26-14-6-15-27-48,49-28-16-7-17-29-49)59-39-43(2)35-37-51(59)67(50)47-40-56-62-57(41-47)66(46-24-12-5-13-25-46)55-33-19-31-53-61(55)63(62)60-52(64(53)44-20-8-3-9-21-44)30-18-32-54(60)65(56)45-22-10-4-11-23-45;2*1-32-24-26-38-46(28-32)56(36-16-8-4-9-17-36,37-18-10-5-11-19-37)47-29-33(2)25-27-39(47)53(38)35-30-41-49-45(31-35)55-44-23-13-22-43-50(44)51(49)48-40(20-12-21-42(48)54-43)52(41)34-14-6-3-7-15-34/h15-50H,1-14H3;3-41H,1-2H3;2*3-31H,1-2H3.
What are the key properties of 5-[8,14-bis[2,4,6-tri(propan-2-yl)phenyl]-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dithia-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;2,8-dimethyl-10,10-diphenyl-5-(8,14,22-triphenyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzo[b][1,4]benzazasiline?
5-[8,14-bis[2,4,6-tri(propan-2-yl)phenyl]-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dithia-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;2,8-dimethyl-10,10-diphenyl-5-(8,14,22-triphenyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzo[b][1,4]benzazasiline has a molecular weight of 3431.75 g/mol, XLogP of 41.33, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8,14-bis[2,4,6-tri(propan-2-yl)phenyl]-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dithia-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;2,8-dimethyl-10,10-diphenyl-5-(8,14,22-triphenyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzo[b][1,4]benzazasiline is sourced from PubChem (CID 159369535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).