About 8,8-diphenyl-5-(10-phenylanthracen-9-yl)-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]
8,8-diphenyl-5-(10-phenylanthracen-9-yl)-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene] (PubChem CID 158480033) has the molecular formula C231H171B4N11Si4
and a molecular weight of 3256.58 g/mol. Its IUPAC name is 8,8-diphenyl-5-(10-phenylanthracen-9-yl)-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene].
Frequently Asked Questions
What is the IUPAC name of 8,8-diphenyl-5-(10-phenylanthracen-9-yl)-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]?
The IUPAC name of 8,8-diphenyl-5-(10-phenylanthracen-9-yl)-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene] (CID 158480033) is 8,8-diphenyl-5-(10-phenylanthracen-9-yl)-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene].
What is the SMILES notation for 8,8-diphenyl-5-(10-phenylanthracen-9-yl)-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]?
The canonical SMILES for 8,8-diphenyl-5-(10-phenylanthracen-9-yl)-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene] is Cc1cc(C)c(B2c3ccccc3N3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4[Si](c4ccccc4)(c4ccccc4)c4cccc2c43)c(C)c1.Cc1cc(C)c(B2c3ccccc3N3c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4[Si](c4ccccc4)(c4ccccc4)c4cccc2c43)c(C)c1.Cc1cc(C)c(B2c3ccccc3N3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4[Si](c4ccccc4)(c4ccccc4)c4cccc2c43)c(C)c1.Cc1cc(C)c(N2c3cc4c(cc3B3c5cccc6c5N(c5ccccc5[Si]6(c5ccccc5)c5ccccc5)c5cccc2c53)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c(C)c1.
What is the InChIKey of 8,8-diphenyl-5-(10-phenylanthracen-9-yl)-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]?
The InChIKey is HHKHOBJVCPZDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45BN2Si.C59H44BNSi.2C54H41BN4Si/c1-40-36-41(2)62(42(3)37-40)67-57-33-19-32-56-61(57)65(53-30-18-35-60-63(53)66(56)55-31-16-17-34-59(55)68(60,43-20-6-4-7-21-43)44-22-8-5-9-23-44)54-39-52-48(38-58(54)67)47-26-12-15-29-51(47)64(52)49-27-13-10-24-45(49)46-25-11-14-28-50(46)64;1-39-36-40(2)58(41(3)37-39)60-50-30-17-18-32-52(50)61-53-35-34-43(57-48-28-15-13-26-46(48)56(42-20-7-4-8-21-42)47-27-14-16-29-49(47)57)38-55(53)62(44-22-9-5-10-23-44,45-24-11-6-12-25-45)54-33-19-31-51(60)59(54)61;1-36-33-37(2)50(38(3)34-36)55-44-27-16-17-29-46(44)59-47-35-41(54-57-52(39-19-8-4-9-20-39)56-53(58-54)40-21-10-5-11-22-40)31-32-48(47)60(42-23-12-6-13-24-42,43-25-14-7-15-26-43)49-30-18-28-45(55)51(49)59;1-36-33-37(2)50(38(3)34-36)55-44-27-16-17-29-46(44)59-47-32-31-41(54-57-52(39-19-8-4-9-20-39)56-53(58-54)40-21-10-5-11-22-40)35-49(47)60(42-23-12-6-13-24-42,43-25-14-7-15-26-43)48-30-18-28-45(55)51(48)59/h4-39H,1-3H3;4-38H,1-3H3;2*4-35H,1-3H3.
What are the key properties of 8,8-diphenyl-5-(10-phenylanthracen-9-yl)-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]?
8,8-diphenyl-5-(10-phenylanthracen-9-yl)-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene] has a molecular weight of 3256.58 g/mol, XLogP of 36.55, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-diphenyl-5-(10-phenylanthracen-9-yl)-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene] is sourced from PubChem (CID 158480033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).