About N,N-bis(4-tert-butylphenyl)-23-dibenzofuran-1-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;N,N-bis(4-tert-butylphenyl)-9,9,26-trimethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;20-tert-butyl-23-(4-tert-butyl-2-phenylphenyl)-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene;20-tert-butyl-23-dibenzofuran-4-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene
N,N-bis(4-tert-butylphenyl)-23-dibenzofuran-1-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;N,N-bis(4-tert-butylphenyl)-9,9,26-trimethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;20-tert-butyl-23-(4-tert-butyl-2-phenylphenyl)-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene;20-tert-butyl-23-dibenzofuran-4-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene (PubChem CID 165099107) has the molecular formula C222H204B4N10O2
and a molecular weight of 3087.39 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-23-dibenzofuran-1-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;N,N-bis(4-tert-butylphenyl)-9,9,26-trimethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;20-tert-butyl-23-(4-tert-butyl-2-phenylphenyl)-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene;20-tert-butyl-23-dibenzofuran-4-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene.
Frequently Asked Questions
What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-23-dibenzofuran-1-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;N,N-bis(4-tert-butylphenyl)-9,9,26-trimethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;20-tert-butyl-23-(4-tert-butyl-2-phenylphenyl)-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene;20-tert-butyl-23-dibenzofuran-4-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-23-dibenzofuran-1-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;N,N-bis(4-tert-butylphenyl)-9,9,26-trimethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;20-tert-butyl-23-(4-tert-butyl-2-phenylphenyl)-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene;20-tert-butyl-23-dibenzofuran-4-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene (CID 165099107) is N,N-bis(4-tert-butylphenyl)-23-dibenzofuran-1-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;N,N-bis(4-tert-butylphenyl)-9,9,26-trimethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;20-tert-butyl-23-(4-tert-butyl-2-phenylphenyl)-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene;20-tert-butyl-23-dibenzofuran-4-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-23-dibenzofuran-1-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;N,N-bis(4-tert-butylphenyl)-9,9,26-trimethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;20-tert-butyl-23-(4-tert-butyl-2-phenylphenyl)-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene;20-tert-butyl-23-dibenzofuran-4-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-23-dibenzofuran-1-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;N,N-bis(4-tert-butylphenyl)-9,9,26-trimethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;20-tert-butyl-23-(4-tert-butyl-2-phenylphenyl)-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene;20-tert-butyl-23-dibenzofuran-4-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene is Cc1cc2c3c(c1)-n1c4c(c5cccc(c51)B3c1ccc(C(C)(C)C)cc1N2c1ccc(C(C)(C)C)cc1-c1ccccc1)C(C)(C)c1ccccc1-4.Cc1cc2c3c(c1)-n1c4c(c5cccc(c51)B3c1ccc(C(C)(C)C)cc1N2c1cccc2c1oc1ccccc12)C(C)(C)c1ccccc1-4.Cc1cc2c3c(c1)-n1c4c(c5cccc(c51)B3c1ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc1N2c1ccc2c(c1)C(C)(C)CCC2(C)C)C(C)(C)c1ccccc1-4.Cc1cc2c3c(c1)-n1c4c(c5cccc(c51)B3c1ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc1N2c1cccc2oc3ccccc3c12)C(C)(C)c1ccccc1-4.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-23-dibenzofuran-1-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;N,N-bis(4-tert-butylphenyl)-9,9,26-trimethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;20-tert-butyl-23-(4-tert-butyl-2-phenylphenyl)-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene;20-tert-butyl-23-dibenzofuran-4-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene?
The InChIKey is YAEGFQZOJBGONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H66BN3.C62H54BN3O.C50H47BN2.C46H37BN2O/c1-39-35-54-57-55(36-39)68-58-47(56-59(68)46-17-14-15-19-48(46)64(56,12)13)18-16-20-52(58)65(57)51-32-30-45(38-53(51)67(54)44-29-31-49-50(37-44)63(10,11)34-33-62(49,8)9)66(42-25-21-40(22-26-42)60(2,3)4)43-27-23-41(24-28-43)61(5,6)7;1-37-34-51-57-52(35-37)66-58-45(56-59(66)43-16-10-12-19-46(43)62(56,8)9)18-14-20-48(58)63(57)47-33-32-42(36-50(47)65(51)49-21-15-23-54-55(49)44-17-11-13-22-53(44)67-54)64(40-28-24-38(25-29-40)60(2,3)4)41-30-26-39(27-31-41)61(5,6)7;1-30-26-42-45-43(27-30)53-46-35(44-47(53)34-18-13-14-20-37(34)50(44,8)9)19-15-21-39(46)51(45)38-24-22-33(49(5,6)7)29-41(38)52(42)40-25-23-32(48(2,3)4)28-36(40)31-16-11-10-12-17-31;1-26-23-37-41-38(24-26)49-42-31(40-43(49)30-14-7-9-17-32(30)46(40,5)6)16-11-18-34(42)47(41)33-22-21-27(45(2,3)4)25-36(33)48(37)35-19-12-15-29-28-13-8-10-20-39(28)50-44(29)35/h14-32,35-38H,33-34H2,1-13H3;10-36H,1-9H3;10-29H,1-9H3;7-25H,1-6H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)-23-dibenzofuran-1-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;N,N-bis(4-tert-butylphenyl)-9,9,26-trimethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;20-tert-butyl-23-(4-tert-butyl-2-phenylphenyl)-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene;20-tert-butyl-23-dibenzofuran-4-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene?
N,N-bis(4-tert-butylphenyl)-23-dibenzofuran-1-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;N,N-bis(4-tert-butylphenyl)-9,9,26-trimethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;20-tert-butyl-23-(4-tert-butyl-2-phenylphenyl)-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene;20-tert-butyl-23-dibenzofuran-4-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene has a molecular weight of 3087.39 g/mol, XLogP of 51.27, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-23-dibenzofuran-1-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;N,N-bis(4-tert-butylphenyl)-9,9,26-trimethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-20-amine;20-tert-butyl-23-(4-tert-butyl-2-phenylphenyl)-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene;20-tert-butyl-23-dibenzofuran-4-yl-9,9,26-trimethyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene is sourced from PubChem (CID 165099107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).