About 21-carbazol-9-yl-2,11-dimethyl-24-oxa-1-aza-17-boraoctacyclo[14.13.1.117,25.02,11.05,10.012,30.018,23.029,31]hentriaconta-12,14,16(30),18(23),19,21,25,27,29(31)-nonaene;15,16-diethyl-15,16-dimethyl-4-phenyl-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9(22),10,12,17,19,21(23)-nonaene;3,11-dimethyl-28-oxa-2-aza-17-boranonacyclo[15.15.1.12,12.03,11.04,8.018,27.020,25.029,33.016,34]tetratriaconta-1(33),12,14,16(34),18,20,22,24,26,29,31-undecaene;3,8-dimethyl-19-phenyl-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),9,11,13(27),15(20),16,18,22,24-nonaene;21-fluoro-19,24-dimethyl-12-oxa-18-aza-1-boraoctacyclo[15.12.1.118,25.02,11.05,10.013,30.019,24.029,31]hentriaconta-2(11),3,5,7,9,13,15,17(30),25,27,29(31)-undecaene
21-carbazol-9-yl-2,11-dimethyl-24-oxa-1-aza-17-boraoctacyclo[14.13.1.117,25.02,11.05,10.012,30.018,23.029,31]hentriaconta-12,14,16(30),18(23),19,21,25,27,29(31)-nonaene;15,16-diethyl-15,16-dimethyl-4-phenyl-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9(22),10,12,17,19,21(23)-nonaene;3,11-dimethyl-28-oxa-2-aza-17-boranonacyclo[15.15.1.12,12.03,11.04,8.018,27.020,25.029,33.016,34]tetratriaconta-1(33),12,14,16(34),18,20,22,24,26,29,31-undecaene;3,8-dimethyl-19-phenyl-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),9,11,13(27),15(20),16,18,22,24-nonaene;21-fluoro-19,24-dimethyl-12-oxa-18-aza-1-boraoctacyclo[15.12.1.118,25.02,11.05,10.013,30.019,24.029,31]hentriaconta-2(11),3,5,7,9,13,15,17(30),25,27,29(31)-undecaene (PubChem CID 163601028) has the molecular formula C169H151B5FN7O4
and a molecular weight of 2417.17 g/mol. Its IUPAC name is 21-carbazol-9-yl-2,11-dimethyl-24-oxa-1-aza-17-boraoctacyclo[14.13.1.117,25.02,11.05,10.012,30.018,23.029,31]hentriaconta-12,14,16(30),18(23),19,21,25,27,29(31)-nonaene;15,16-diethyl-15,16-dimethyl-4-phenyl-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9(22),10,12,17,19,21(23)-nonaene;3,11-dimethyl-28-oxa-2-aza-17-boranonacyclo[15.15.1.12,12.03,11.04,8.018,27.020,25.029,33.016,34]tetratriaconta-1(33),12,14,16(34),18,20,22,24,26,29,31-undecaene;3,8-dimethyl-19-phenyl-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),9,11,13(27),15(20),16,18,22,24-nonaene;21-fluoro-19,24-dimethyl-12-oxa-18-aza-1-boraoctacyclo[15.12.1.118,25.02,11.05,10.013,30.019,24.029,31]hentriaconta-2(11),3,5,7,9,13,15,17(30),25,27,29(31)-undecaene.
Frequently Asked Questions
What is the IUPAC name of 21-carbazol-9-yl-2,11-dimethyl-24-oxa-1-aza-17-boraoctacyclo[14.13.1.117,25.02,11.05,10.012,30.018,23.029,31]hentriaconta-12,14,16(30),18(23),19,21,25,27,29(31)-nonaene;15,16-diethyl-15,16-dimethyl-4-phenyl-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9(22),10,12,17,19,21(23)-nonaene;3,11-dimethyl-28-oxa-2-aza-17-boranonacyclo[15.15.1.12,12.03,11.04,8.018,27.020,25.029,33.016,34]tetratriaconta-1(33),12,14,16(34),18,20,22,24,26,29,31-undecaene;3,8-dimethyl-19-phenyl-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),9,11,13(27),15(20),16,18,22,24-nonaene;21-fluoro-19,24-dimethyl-12-oxa-18-aza-1-boraoctacyclo[15.12.1.118,25.02,11.05,10.013,30.019,24.029,31]hentriaconta-2(11),3,5,7,9,13,15,17(30),25,27,29(31)-undecaene?
The IUPAC name of 21-carbazol-9-yl-2,11-dimethyl-24-oxa-1-aza-17-boraoctacyclo[14.13.1.117,25.02,11.05,10.012,30.018,23.029,31]hentriaconta-12,14,16(30),18(23),19,21,25,27,29(31)-nonaene;15,16-diethyl-15,16-dimethyl-4-phenyl-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9(22),10,12,17,19,21(23)-nonaene;3,11-dimethyl-28-oxa-2-aza-17-boranonacyclo[15.15.1.12,12.03,11.04,8.018,27.020,25.029,33.016,34]tetratriaconta-1(33),12,14,16(34),18,20,22,24,26,29,31-undecaene;3,8-dimethyl-19-phenyl-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),9,11,13(27),15(20),16,18,22,24-nonaene;21-fluoro-19,24-dimethyl-12-oxa-18-aza-1-boraoctacyclo[15.12.1.118,25.02,11.05,10.013,30.019,24.029,31]hentriaconta-2(11),3,5,7,9,13,15,17(30),25,27,29(31)-undecaene (CID 163601028) is 21-carbazol-9-yl-2,11-dimethyl-24-oxa-1-aza-17-boraoctacyclo[14.13.1.117,25.02,11.05,10.012,30.018,23.029,31]hentriaconta-12,14,16(30),18(23),19,21,25,27,29(31)-nonaene;15,16-diethyl-15,16-dimethyl-4-phenyl-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9(22),10,12,17,19,21(23)-nonaene;3,11-dimethyl-28-oxa-2-aza-17-boranonacyclo[15.15.1.12,12.03,11.04,8.018,27.020,25.029,33.016,34]tetratriaconta-1(33),12,14,16(34),18,20,22,24,26,29,31-undecaene;3,8-dimethyl-19-phenyl-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),9,11,13(27),15(20),16,18,22,24-nonaene;21-fluoro-19,24-dimethyl-12-oxa-18-aza-1-boraoctacyclo[15.12.1.118,25.02,11.05,10.013,30.019,24.029,31]hentriaconta-2(11),3,5,7,9,13,15,17(30),25,27,29(31)-undecaene.
What is the SMILES notation for 21-carbazol-9-yl-2,11-dimethyl-24-oxa-1-aza-17-boraoctacyclo[14.13.1.117,25.02,11.05,10.012,30.018,23.029,31]hentriaconta-12,14,16(30),18(23),19,21,25,27,29(31)-nonaene;15,16-diethyl-15,16-dimethyl-4-phenyl-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9(22),10,12,17,19,21(23)-nonaene;3,11-dimethyl-28-oxa-2-aza-17-boranonacyclo[15.15.1.12,12.03,11.04,8.018,27.020,25.029,33.016,34]tetratriaconta-1(33),12,14,16(34),18,20,22,24,26,29,31-undecaene;3,8-dimethyl-19-phenyl-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),9,11,13(27),15(20),16,18,22,24-nonaene;21-fluoro-19,24-dimethyl-12-oxa-18-aza-1-boraoctacyclo[15.12.1.118,25.02,11.05,10.013,30.019,24.029,31]hentriaconta-2(11),3,5,7,9,13,15,17(30),25,27,29(31)-undecaene?
The canonical SMILES for 21-carbazol-9-yl-2,11-dimethyl-24-oxa-1-aza-17-boraoctacyclo[14.13.1.117,25.02,11.05,10.012,30.018,23.029,31]hentriaconta-12,14,16(30),18(23),19,21,25,27,29(31)-nonaene;15,16-diethyl-15,16-dimethyl-4-phenyl-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9(22),10,12,17,19,21(23)-nonaene;3,11-dimethyl-28-oxa-2-aza-17-boranonacyclo[15.15.1.12,12.03,11.04,8.018,27.020,25.029,33.016,34]tetratriaconta-1(33),12,14,16(34),18,20,22,24,26,29,31-undecaene;3,8-dimethyl-19-phenyl-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),9,11,13(27),15(20),16,18,22,24-nonaene;21-fluoro-19,24-dimethyl-12-oxa-18-aza-1-boraoctacyclo[15.12.1.118,25.02,11.05,10.013,30.019,24.029,31]hentriaconta-2(11),3,5,7,9,13,15,17(30),25,27,29(31)-undecaene is CC12CCC(F)CC1(C)N1c3cccc4c3B(c3cccc2c31)c1ccc2ccccc2c1O4.CC12CCC3CCCC3C1(C)N1c3cccc4c3B(c3cc5ccccc5cc3O4)c3cccc2c31.CC12CCCCC1(C)N1c3cccc4c3B(c3cccc(-c5ccccc5)c3O4)c3cccc2c31.CC12c3cccc4c3N(c3cccc5c3B4c3ccc(-n4c6ccccc6c6ccccc64)cc3O5)C1(C)CCC1CCCCC12.CCC1(C)c2cccc3c2N(c2cccc4c2B3c2cc(-c3ccccc3)ccc2N4)C1(C)CC.
What is the InChIKey of 21-carbazol-9-yl-2,11-dimethyl-24-oxa-1-aza-17-boraoctacyclo[14.13.1.117,25.02,11.05,10.012,30.018,23.029,31]hentriaconta-12,14,16(30),18(23),19,21,25,27,29(31)-nonaene;15,16-diethyl-15,16-dimethyl-4-phenyl-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9(22),10,12,17,19,21(23)-nonaene;3,11-dimethyl-28-oxa-2-aza-17-boranonacyclo[15.15.1.12,12.03,11.04,8.018,27.020,25.029,33.016,34]tetratriaconta-1(33),12,14,16(34),18,20,22,24,26,29,31-undecaene;3,8-dimethyl-19-phenyl-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),9,11,13(27),15(20),16,18,22,24-nonaene;21-fluoro-19,24-dimethyl-12-oxa-18-aza-1-boraoctacyclo[15.12.1.118,25.02,11.05,10.013,30.019,24.029,31]hentriaconta-2(11),3,5,7,9,13,15,17(30),25,27,29(31)-undecaene?
The InChIKey is GXQNVDKVTCCWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37BN2O.C33H30BNO.C32H31BN2.C32H28BNO.C30H25BFNO/c1-41-24-23-26-11-3-6-14-30(26)42(41,2)31-15-9-16-33-40(31)45(41)36-19-10-20-37-39(36)43(33)32-22-21-27(25-38(32)46-37)44-34-17-7-4-12-28(34)29-13-5-8-18-35(29)44;1-32-17-16-20-10-5-11-23(20)33(32,2)35-27-14-7-15-28-30(27)34(25-13-6-12-24(32)31(25)35)26-18-21-8-3-4-9-22(21)19-29(26)36-28;1-5-31(3)23-14-10-15-24-30(23)35(32(31,4)6-2)28-17-11-16-27-29(28)33(24)25-20-22(18-19-26(25)34-27)21-12-8-7-9-13-21;1-31-19-6-7-20-32(31,2)34-26-17-10-18-27-28(26)33(24-15-9-14-23(31)29(24)34)25-16-8-13-22(30(25)35-27)21-11-4-3-5-12-21;1-29-16-15-19(32)17-30(29,2)33-24-11-6-12-25-26(24)31(22-10-5-9-21(29)27(22)33)23-14-13-18-7-3-4-8-20(18)28(23)34-25/h4-5,7-10,12-13,15-22,25-26,30H,3,6,11,14,23-24H2,1-2H3;3-4,6-9,12-15,18-20,23H,5,10-11,16-17H2,1-2H3;7-20,34H,5-6H2,1-4H3;3-5,8-18H,6-7,19-20H2,1-2H3;3-14,19H,15-17H2,1-2H3.
What are the key properties of 21-carbazol-9-yl-2,11-dimethyl-24-oxa-1-aza-17-boraoctacyclo[14.13.1.117,25.02,11.05,10.012,30.018,23.029,31]hentriaconta-12,14,16(30),18(23),19,21,25,27,29(31)-nonaene;15,16-diethyl-15,16-dimethyl-4-phenyl-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9(22),10,12,17,19,21(23)-nonaene;3,11-dimethyl-28-oxa-2-aza-17-boranonacyclo[15.15.1.12,12.03,11.04,8.018,27.020,25.029,33.016,34]tetratriaconta-1(33),12,14,16(34),18,20,22,24,26,29,31-undecaene;3,8-dimethyl-19-phenyl-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),9,11,13(27),15(20),16,18,22,24-nonaene;21-fluoro-19,24-dimethyl-12-oxa-18-aza-1-boraoctacyclo[15.12.1.118,25.02,11.05,10.013,30.019,24.029,31]hentriaconta-2(11),3,5,7,9,13,15,17(30),25,27,29(31)-undecaene?
21-carbazol-9-yl-2,11-dimethyl-24-oxa-1-aza-17-boraoctacyclo[14.13.1.117,25.02,11.05,10.012,30.018,23.029,31]hentriaconta-12,14,16(30),18(23),19,21,25,27,29(31)-nonaene;15,16-diethyl-15,16-dimethyl-4-phenyl-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9(22),10,12,17,19,21(23)-nonaene;3,11-dimethyl-28-oxa-2-aza-17-boranonacyclo[15.15.1.12,12.03,11.04,8.018,27.020,25.029,33.016,34]tetratriaconta-1(33),12,14,16(34),18,20,22,24,26,29,31-undecaene;3,8-dimethyl-19-phenyl-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),9,11,13(27),15(20),16,18,22,24-nonaene;21-fluoro-19,24-dimethyl-12-oxa-18-aza-1-boraoctacyclo[15.12.1.118,25.02,11.05,10.013,30.019,24.029,31]hentriaconta-2(11),3,5,7,9,13,15,17(30),25,27,29(31)-undecaene has a molecular weight of 2417.17 g/mol, XLogP of 32.37, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 21-carbazol-9-yl-2,11-dimethyl-24-oxa-1-aza-17-boraoctacyclo[14.13.1.117,25.02,11.05,10.012,30.018,23.029,31]hentriaconta-12,14,16(30),18(23),19,21,25,27,29(31)-nonaene;15,16-diethyl-15,16-dimethyl-4-phenyl-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9(22),10,12,17,19,21(23)-nonaene;3,11-dimethyl-28-oxa-2-aza-17-boranonacyclo[15.15.1.12,12.03,11.04,8.018,27.020,25.029,33.016,34]tetratriaconta-1(33),12,14,16(34),18,20,22,24,26,29,31-undecaene;3,8-dimethyl-19-phenyl-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),9,11,13(27),15(20),16,18,22,24-nonaene;21-fluoro-19,24-dimethyl-12-oxa-18-aza-1-boraoctacyclo[15.12.1.118,25.02,11.05,10.013,30.019,24.029,31]hentriaconta-2(11),3,5,7,9,13,15,17(30),25,27,29(31)-undecaene is sourced from PubChem (CID 163601028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).