About 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-pyren-1-yl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-(4-pyridin-4-ylphenyl)-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;4-(2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaen-26-yl)benzonitrile
26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-pyren-1-yl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-(4-pyridin-4-ylphenyl)-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;4-(2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaen-26-yl)benzonitrile (PubChem CID 167575478) has the molecular formula C223H147B4N13S4Si4
and a molecular weight of 3292.58 g/mol. Its IUPAC name is 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-pyren-1-yl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-(4-pyridin-4-ylphenyl)-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;4-(2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaen-26-yl)benzonitrile.
Frequently Asked Questions
What is the IUPAC name of 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-pyren-1-yl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-(4-pyridin-4-ylphenyl)-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;4-(2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaen-26-yl)benzonitrile?
The IUPAC name of 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-pyren-1-yl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-(4-pyridin-4-ylphenyl)-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;4-(2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaen-26-yl)benzonitrile (CID 167575478) is 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-pyren-1-yl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-(4-pyridin-4-ylphenyl)-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;4-(2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaen-26-yl)benzonitrile.
What is the SMILES notation for 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-pyren-1-yl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-(4-pyridin-4-ylphenyl)-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;4-(2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaen-26-yl)benzonitrile?
The canonical SMILES for 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-pyren-1-yl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-(4-pyridin-4-ylphenyl)-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;4-(2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaen-26-yl)benzonitrile is N#Cc1ccc(N2c3ccccc3Sc3c2cc2c4c3N(c3ccccc3)c3ccccc3B4c3ccccc3[Si]2(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5Sc5c4cc4c6c5N(c5ccccc5)c5ccccc5B6c5ccccc5[Si]4(c4ccccc4)c4ccccc4)cc3)n2)cc1.c1ccc(N2c3ccccc3B3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4cc5c(c2c43)Sc2ccccc2N5c2ccc(-c3ccncc3)cc2)cc1.c1ccc(N2c3ccccc3B3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4cc5c(c2c43)Sc2ccccc2N5c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-pyren-1-yl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-(4-pyridin-4-ylphenyl)-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;4-(2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaen-26-yl)benzonitrile?
The InChIKey is GLUJNMBZFYXFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42BN5SSi.C58H37BN2SSi.C53H36BN3SSi.C49H32BN3SSi/c1-6-22-43(23-7-1)61-65-62(44-24-8-2-9-25-44)67-63(66-61)45-38-40-47(41-39-45)68-53-35-19-20-36-55(53)70-60-54(68)42-57-58-59(60)69(46-26-10-3-11-27-46)52-34-18-16-32-50(52)64(58)51-33-17-21-37-56(51)71(57,48-28-12-4-13-29-48)49-30-14-5-15-31-49;1-4-19-41(20-5-1)60-48-27-12-10-25-45(48)59-46-26-11-15-30-52(46)63(42-21-6-2-7-22-42,43-23-8-3-9-24-43)53-37-50-58(57(60)56(53)59)62-51-29-14-13-28-49(51)61(50)47-36-34-40-32-31-38-17-16-18-39-33-35-44(47)55(40)54(38)39;1-4-16-39(17-5-1)57-45-24-12-10-22-43(45)54-44-23-11-15-27-49(44)59(41-18-6-2-7-19-41,42-20-8-3-9-21-42)50-36-47-53(52(57)51(50)54)58-48-26-14-13-25-46(48)56(47)40-30-28-37(29-31-40)38-32-34-55-35-33-38;51-33-34-28-30-36(31-29-34)52-42-25-13-14-26-44(42)54-49-43(52)32-46-47-48(49)53(35-16-4-1-5-17-35)41-24-12-10-22-39(41)50(47)40-23-11-15-27-45(40)55(46,37-18-6-2-7-19-37)38-20-8-3-9-21-38/h1-42H;1-37H;1-36H;1-32H.
What are the key properties of 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-pyren-1-yl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-(4-pyridin-4-ylphenyl)-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;4-(2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaen-26-yl)benzonitrile?
26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-pyren-1-yl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-(4-pyridin-4-ylphenyl)-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;4-(2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaen-26-yl)benzonitrile has a molecular weight of 3292.58 g/mol, XLogP of 37.46, 20 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-pyren-1-yl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2,16-triphenyl-26-(4-pyridin-4-ylphenyl)-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;4-(2,2,16-triphenyl-19-thia-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaen-26-yl)benzonitrile is sourced from PubChem (CID 167575478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).