About 8,14-bis(3,5-dinaphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8,14-bis(3,5-dinaphthalen-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;4,18-dinaphthalen-1-yl-8,14-bis(4-naphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;8-(3-naphthalen-2-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,14,22-trinaphthalen-1-yl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
8,14-bis(3,5-dinaphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8,14-bis(3,5-dinaphthalen-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;4,18-dinaphthalen-1-yl-8,14-bis(4-naphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;8-(3-naphthalen-2-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,14,22-trinaphthalen-1-yl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene (PubChem CID 164996227) has the molecular formula C298H192B5N11
and a molecular weight of 3980.95 g/mol. Its IUPAC name is 8,14-bis(3,5-dinaphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8,14-bis(3,5-dinaphthalen-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;4,18-dinaphthalen-1-yl-8,14-bis(4-naphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;8-(3-naphthalen-2-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,14,22-trinaphthalen-1-yl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene.
Frequently Asked Questions
What is the IUPAC name of 8,14-bis(3,5-dinaphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8,14-bis(3,5-dinaphthalen-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;4,18-dinaphthalen-1-yl-8,14-bis(4-naphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;8-(3-naphthalen-2-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,14,22-trinaphthalen-1-yl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The IUPAC name of 8,14-bis(3,5-dinaphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8,14-bis(3,5-dinaphthalen-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;4,18-dinaphthalen-1-yl-8,14-bis(4-naphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;8-(3-naphthalen-2-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,14,22-trinaphthalen-1-yl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene (CID 164996227) is 8,14-bis(3,5-dinaphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8,14-bis(3,5-dinaphthalen-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;4,18-dinaphthalen-1-yl-8,14-bis(4-naphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;8-(3-naphthalen-2-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,14,22-trinaphthalen-1-yl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene.
What is the SMILES notation for 8,14-bis(3,5-dinaphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8,14-bis(3,5-dinaphthalen-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;4,18-dinaphthalen-1-yl-8,14-bis(4-naphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;8-(3-naphthalen-2-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,14,22-trinaphthalen-1-yl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The canonical SMILES for 8,14-bis(3,5-dinaphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8,14-bis(3,5-dinaphthalen-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;4,18-dinaphthalen-1-yl-8,14-bis(4-naphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;8-(3-naphthalen-2-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,14,22-trinaphthalen-1-yl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene is c1cc2c3c(c1)N(c1ccc(-c4cccc5ccccc45)cc1)c1ccc(-c4cccc5ccccc45)cc1B3c1cc(-c3cccc4ccccc34)ccc1N2c1ccc(-c2cccc3ccccc23)cc1.c1cc2c3c(c1)N(c1cccc4ccccc14)c1cccc4c1B3c1c(cccc1N4c1cccc3ccccc13)N2c1cccc2ccccc12.c1ccc(N2c3ccccc3B3c4ccccc4N(c4cccc(-c5ccc6ccccc6c5)c4)c4cccc2c43)cc1.c1ccc2c(c1)B1c3ccccc3N(c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)c3cccc(c31)N2c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccccc3c2)c1.c1ccc2c(c1)B1c3ccccc3N(c3cc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)c3)c3cccc(c31)N2c1cc(-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of 8,14-bis(3,5-dinaphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8,14-bis(3,5-dinaphthalen-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;4,18-dinaphthalen-1-yl-8,14-bis(4-naphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;8-(3-naphthalen-2-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,14,22-trinaphthalen-1-yl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The InChIKey is HPAYXYYWSVAEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C70H45BN2.C48H30BN3.C40H27BN2/c1-5-22-56-46(14-1)18-9-26-60(56)50-32-38-54(39-33-50)72-66-42-36-52(62-28-11-20-48-16-3-7-24-58(48)62)44-64(66)71-65-45-53(63-29-12-21-49-17-4-8-25-59(49)63)37-43-67(65)73(69-31-13-30-68(72)70(69)71)55-40-34-51(35-41-55)61-27-10-19-47-15-2-6-23-57(47)61;1-5-26-56-46(18-1)22-13-30-60(56)50-40-51(61-31-14-23-47-19-2-6-27-57(47)61)43-54(42-50)72-66-36-11-9-34-64(66)71-65-35-10-12-37-67(65)73(69-39-17-38-68(72)70(69)71)55-44-52(62-32-15-24-48-20-3-7-28-58(48)62)41-53(45-55)63-33-16-25-49-21-4-8-29-59(49)63;1-5-18-50-36-54(32-28-46(50)14-1)58-40-59(55-33-29-47-15-2-6-19-51(47)37-55)43-62(42-58)72-66-24-11-9-22-64(66)71-65-23-10-12-25-67(65)73(69-27-13-26-68(72)70(69)71)63-44-60(56-34-30-48-16-3-7-20-52(48)38-56)41-61(45-63)57-35-31-49-17-4-8-21-53(49)39-57;1-4-19-34-31(13-1)16-7-22-37(34)50-40-25-10-27-42-46(40)49-47-41(50)26-11-28-43(47)52(39-24-9-18-33-15-3-6-21-36(33)39)45-30-12-29-44(48(45)49)51(42)38-23-8-17-32-14-2-5-20-35(32)38;1-2-15-32(16-3-1)42-36-20-8-6-18-34(36)41-35-19-7-9-21-37(35)43(39-23-11-22-38(42)40(39)41)33-17-10-14-30(27-33)31-25-24-28-12-4-5-13-29(28)26-31/h3*1-45H;1-30H;1-27H.
What are the key properties of 8,14-bis(3,5-dinaphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8,14-bis(3,5-dinaphthalen-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;4,18-dinaphthalen-1-yl-8,14-bis(4-naphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;8-(3-naphthalen-2-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,14,22-trinaphthalen-1-yl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
8,14-bis(3,5-dinaphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8,14-bis(3,5-dinaphthalen-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;4,18-dinaphthalen-1-yl-8,14-bis(4-naphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;8-(3-naphthalen-2-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,14,22-trinaphthalen-1-yl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene has a molecular weight of 3980.95 g/mol, XLogP of 70.75, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14-bis(3,5-dinaphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8,14-bis(3,5-dinaphthalen-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;4,18-dinaphthalen-1-yl-8,14-bis(4-naphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;8-(3-naphthalen-2-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,14,22-trinaphthalen-1-yl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 164996227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).