About 19,27-dimethyl-N,N-bis(4-methylphenyl)-8-phenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;19,27-dimethyl-N,N,8-triphenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;7,50-dioxa-21,28,36-triaza-14,29,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene;50-phenyl-7-oxa-21,29,36,50-tetraza-14,28,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene
19,27-dimethyl-N,N-bis(4-methylphenyl)-8-phenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;19,27-dimethyl-N,N,8-triphenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;7,50-dioxa-21,28,36-triaza-14,29,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene;50-phenyl-7-oxa-21,29,36,50-tetraza-14,28,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene (PubChem CID 158038569) has the molecular formula C204H131B10N13O5
and a molecular weight of 2952.50 g/mol. Its IUPAC name is 19,27-dimethyl-N,N-bis(4-methylphenyl)-8-phenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;19,27-dimethyl-N,N,8-triphenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;7,50-dioxa-21,28,36-triaza-14,29,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene;50-phenyl-7-oxa-21,29,36,50-tetraza-14,28,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene.
Frequently Asked Questions
What is the IUPAC name of 19,27-dimethyl-N,N-bis(4-methylphenyl)-8-phenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;19,27-dimethyl-N,N,8-triphenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;7,50-dioxa-21,28,36-triaza-14,29,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene;50-phenyl-7-oxa-21,29,36,50-tetraza-14,28,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene?
The IUPAC name of 19,27-dimethyl-N,N-bis(4-methylphenyl)-8-phenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;19,27-dimethyl-N,N,8-triphenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;7,50-dioxa-21,28,36-triaza-14,29,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene;50-phenyl-7-oxa-21,29,36,50-tetraza-14,28,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene (CID 158038569) is 19,27-dimethyl-N,N-bis(4-methylphenyl)-8-phenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;19,27-dimethyl-N,N,8-triphenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;7,50-dioxa-21,28,36-triaza-14,29,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene;50-phenyl-7-oxa-21,29,36,50-tetraza-14,28,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene.
What is the SMILES notation for 19,27-dimethyl-N,N-bis(4-methylphenyl)-8-phenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;19,27-dimethyl-N,N,8-triphenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;7,50-dioxa-21,28,36-triaza-14,29,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene;50-phenyl-7-oxa-21,29,36,50-tetraza-14,28,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene?
The canonical SMILES for 19,27-dimethyl-N,N-bis(4-methylphenyl)-8-phenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;19,27-dimethyl-N,N,8-triphenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;7,50-dioxa-21,28,36-triaza-14,29,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene;50-phenyl-7-oxa-21,29,36,50-tetraza-14,28,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)N(c2ccccc2)B2c4ccccc4N4c5cc(C)ccc5B5c6ccc(C)cc6Oc6cc-3c2c4c65)cc1.Cc1ccc2c(c1)Oc1cc3c4c5c1B2c1ccc(C)cc1N5c1ccccc1B4N(c1ccccc1)c1cc(N(c2ccccc2)c2ccccc2)ccc1-3.c1ccc(N2c3ccccc3B3c4ccccc4N4c5ccccc5N5B6c7ccccc7N7c8ccccc8B8c9ccccc9Oc9cc(c6c7c98)-c6cc2c3c4c65)cc1.c1ccc2c(c1)Oc1cc3c4c5c1B2c1ccccc1N5c1ccccc1B4N1c2ccccc2N2c4ccccc4B4c5ccccc5Oc5cc-3c1c2c54.
What is the InChIKey of 19,27-dimethyl-N,N-bis(4-methylphenyl)-8-phenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;19,27-dimethyl-N,N,8-triphenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;7,50-dioxa-21,28,36-triaza-14,29,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene;50-phenyl-7-oxa-21,29,36,50-tetraza-14,28,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene?
The InChIKey is FIBLLOKXKODRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31B3N4O.C52H39B2N3O.C50H35B2N3O.C48H26B3N3O2/c1-2-16-32(17-3-1)58-40-23-9-4-18-35(40)55-36-19-5-11-25-42(36)60-44-27-13-14-28-45(44)61-52-34(30-46(58)50(55)54(52)60)33-31-48-51-53-49(33)57(61)38-21-7-12-26-43(38)59(53)41-24-10-6-20-37(41)56(51)39-22-8-15-29-47(39)62-48;1-32-14-20-36(21-15-32)55(37-22-16-33(2)17-23-37)39-24-25-40-41-31-49-51-52-50(41)54(57(46(40)30-39)38-10-6-5-7-11-38)43-12-8-9-13-45(43)56(52)47-28-34(3)18-26-42(47)53(51)44-27-19-35(4)29-48(44)58-49;1-32-22-26-40-45(28-32)54-43-21-13-12-20-41(43)52-48-39(31-47-49(50(48)54)51(40)42-27-23-33(2)29-46(42)56-47)38-25-24-37(30-44(38)55(52)36-18-10-5-11-19-36)53(34-14-6-3-7-15-34)35-16-8-4-9-17-35;1-6-18-34-29(13-1)49-32-16-4-11-23-39(32)55-41-25-27-28-26-42-45-48-46(28)54(51-31-15-3-8-20-36(31)52(34)47(43(27)51)44(41)49)38-22-10-9-21-37(38)53(48)35-19-7-2-14-30(35)50(45)33-17-5-12-24-40(33)56-42/h1-31H;5-31H,1-4H3;3-31H,1-2H3;1-26H.
What are the key properties of 19,27-dimethyl-N,N-bis(4-methylphenyl)-8-phenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;19,27-dimethyl-N,N,8-triphenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;7,50-dioxa-21,28,36-triaza-14,29,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene;50-phenyl-7-oxa-21,29,36,50-tetraza-14,28,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene?
19,27-dimethyl-N,N-bis(4-methylphenyl)-8-phenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;19,27-dimethyl-N,N,8-triphenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;7,50-dioxa-21,28,36-triaza-14,29,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene;50-phenyl-7-oxa-21,29,36,50-tetraza-14,28,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene has a molecular weight of 2952.50 g/mol, XLogP of 33.22, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 19,27-dimethyl-N,N-bis(4-methylphenyl)-8-phenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;19,27-dimethyl-N,N,8-triphenyl-30-oxa-8,16-diaza-9,23-diboranonacyclo[29.3.1.02,7.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),2(7),3,5,10,12,14,17(22),18,20,24(29),25,27,31,33-pentadecaen-5-amine;7,50-dioxa-21,28,36-triaza-14,29,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene;50-phenyl-7-oxa-21,29,36,50-tetraza-14,28,43-triborapentadecacyclo[49.3.1.12,6.03,28.04,21.05,14.08,13.015,20.022,27.029,54.030,35.036,53.037,42.043,52.044,49]hexapentaconta-1(55),2(56),3,5,8,10,12,15,17,19,22,24,26,30,32,34,37,39,41,44,46,48,51,53-tetracosaene is sourced from PubChem (CID 158038569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).