About 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;4-(2,16,19-triphenyl-19,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaen-26-yl)benzonitrile;2,16,19-triphenyl-26-pyren-1-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-pyridin-4-ylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;4-(2,16,19-triphenyl-19,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaen-26-yl)benzonitrile;2,16,19-triphenyl-26-pyren-1-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-pyridin-4-ylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene (PubChem CID 167563250) has the molecular formula C224H148B8N16
and a molecular weight of 3150.26 g/mol. Its IUPAC name is 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;4-(2,16,19-triphenyl-19,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaen-26-yl)benzonitrile;2,16,19-triphenyl-26-pyren-1-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-pyridin-4-ylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene.
Frequently Asked Questions
What is the IUPAC name of 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;4-(2,16,19-triphenyl-19,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaen-26-yl)benzonitrile;2,16,19-triphenyl-26-pyren-1-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-pyridin-4-ylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?
The IUPAC name of 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;4-(2,16,19-triphenyl-19,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaen-26-yl)benzonitrile;2,16,19-triphenyl-26-pyren-1-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-pyridin-4-ylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene (CID 167563250) is 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;4-(2,16,19-triphenyl-19,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaen-26-yl)benzonitrile;2,16,19-triphenyl-26-pyren-1-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-pyridin-4-ylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene.
What is the SMILES notation for 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;4-(2,16,19-triphenyl-19,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaen-26-yl)benzonitrile;2,16,19-triphenyl-26-pyren-1-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-pyridin-4-ylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?
The canonical SMILES for 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;4-(2,16,19-triphenyl-19,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaen-26-yl)benzonitrile;2,16,19-triphenyl-26-pyren-1-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-pyridin-4-ylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene is N#Cc1ccc(N2c3ccccc3N(c3ccccc3)c3c2cc2c4c3C(c3ccccc3)c3ccccc3B4c3ccccc3B2c2ccccc2)cc1.c1ccc(B2c3ccccc3B3c4ccccc4N(c4ccccc4)c4c3c2cc2c4N(c3ccccc3)c3ccccc3N2c2ccc(-c3ccncc3)cc2)cc1.c1ccc(B2c3ccccc3B3c4ccccc4N(c4ccccc4)c4c3c2cc2c4N(c3ccccc3)c3ccccc3N2c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(B2c3ccccc3B3c4ccccc4N(c4ccccc4)c4c3c2cc2c4N(c3ccccc3)c3ccccc3N2c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;4-(2,16,19-triphenyl-19,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaen-26-yl)benzonitrile;2,16,19-triphenyl-26-pyren-1-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-pyridin-4-ylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?
The InChIKey is DYBRHYWFIHYRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42B2N6.C58H37B2N3.C53H36B2N4.C50H33B2N3/c1-6-22-43(23-7-1)61-66-62(44-24-8-2-9-25-44)68-63(67-61)45-38-40-49(41-39-45)69-55-36-20-21-37-56(55)71(48-30-14-5-15-31-48)59-57(69)42-53-58-60(59)70(47-28-12-4-13-29-47)54-35-19-18-34-52(54)65(58)51-33-17-16-32-50(51)64(53)46-26-10-3-11-27-46;1-4-19-41(20-5-1)59-45-25-10-11-26-46(45)60-47-27-12-13-28-50(47)61(42-21-6-2-7-22-42)58-56(60)48(59)37-53-57(58)62(43-23-8-3-9-24-43)51-29-14-15-30-52(51)63(53)49-36-34-40-32-31-38-17-16-18-39-33-35-44(49)55(40)54(38)39;1-4-16-39(17-5-1)54-43-22-10-11-23-44(43)55-45-24-12-13-25-47(45)58(40-18-6-2-7-19-40)53-51(55)46(54)36-50-52(53)59(41-20-8-3-9-21-41)49-27-15-14-26-48(49)57(50)42-30-28-37(29-31-42)38-32-34-56-35-33-38;53-33-34-28-30-38(31-29-34)54-44-26-14-15-27-45(44)55(37-20-8-3-9-21-37)50-46(54)32-43-49-48(50)47(35-16-4-1-5-17-35)39-22-10-11-23-40(39)52(49)42-25-13-12-24-41(42)51(43)36-18-6-2-7-19-36/h1-42H;1-37H;1-36H;1-32,47H.
What are the key properties of 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;4-(2,16,19-triphenyl-19,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaen-26-yl)benzonitrile;2,16,19-triphenyl-26-pyren-1-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-pyridin-4-ylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?
26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;4-(2,16,19-triphenyl-19,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaen-26-yl)benzonitrile;2,16,19-triphenyl-26-pyren-1-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-pyridin-4-ylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene has a molecular weight of 3150.26 g/mol, XLogP of 39.00, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;4-(2,16,19-triphenyl-19,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaen-26-yl)benzonitrile;2,16,19-triphenyl-26-pyren-1-yl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-pyridin-4-ylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene is sourced from PubChem (CID 167563250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).