N-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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

C327H311B8N9O7S — CID 158003005

IUPACN-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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
SMILESCC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc(Oc5ccccc5)ccc4C(C)(C)c4c(C(C)(C)C)ccc2c43)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc5c(cc4C(C)(C)c4c(C(C)(C)C)ccc2c43)oc2ccccc25)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4ccc(Oc5ccccc5)cc4C(C)(C)c4c(C(C)(C)C)ccc2c43)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4c2ccc(C)c4C(C)(C)c2ccc4oc5ccccc5c4c23)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc(Oc5ccccc5)ccc4C(C)(C)c4c(C)ccc2c43)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc5c(cc4C(C)(C)c4c(C)ccc2c43)oc2ccccc25)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc4C(C)(C)c4c(C)ccc2c43)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4ccc(Oc5ccccc5)cc4C(C)(C)c4c(C)ccc2c43)cc1
InChIInChI=1S/C48H39BN2S.C45H48BNO.2C45H50BNO.2C36H30BNO.2C36H32BNO/c1-30-15-19-34(20-16-30)51-42-24-17-31(2)27-41(42)49-40-23-21-36(29-39(40)48(4,5)46-32(3)18-25-43(51)47(46)49)50(33-11-7-6-8-12-33)35-22-26-45-38(28-35)37-13-9-10-14-44(37)52-45;1-42(2,3)27-16-19-29(20-17-27)47-36-22-18-28(43(4,5)6)24-35(36)46-34-25-31-30-14-12-13-15-38(30)48-39(31)26-33(34)45(10,11)40-32(44(7,8)9)21-23-37(47)41(40)46;1-42(2,3)29-17-20-31(21-18-29)47-38-25-19-30(43(4,5)6)27-37(38)46-36-24-22-33(48-32-15-13-12-14-16-32)28-35(36)45(10,11)40-34(44(7,8)9)23-26-39(47)41(40)46;1-42(2,3)29-17-20-31(21-18-29)47-38-25-19-30(43(4,5)6)27-37(38)46-36-28-33(48-32-15-13-12-14-16-32)22-23-34(36)45(10,11)40-35(44(7,8)9)24-26-39(47)41(40)46;1-21-10-14-24(15-11-21)38-28-17-12-22(2)20-27(28)37-34-26(36(4,5)33-23(3)13-18-29(38)35(33)37)16-19-31-32(34)25-8-6-7-9-30(25)39-31;1-21-10-14-24(15-11-21)38-30-16-12-22(2)18-29(30)37-28-19-26-25-8-6-7-9-32(25)39-33(26)20-27(28)36(4,5)34-23(3)13-17-31(38)35(34)37;1-23-11-15-26(16-12-23)38-32-19-13-24(2)21-31(32)37-30-18-17-28(39-27-9-7-6-8-10-27)22-29(30)36(4,5)34-25(3)14-20-33(38)35(34)37;1-23-11-15-26(16-12-23)38-32-19-13-24(2)21-31(32)37-30-22-28(39-27-9-7-6-8-10-27)17-18-29(30)36(4,5)34-25(3)14-20-33(38)35(34)37/h6-29H,1-5H3;12-26H,1-11H3;2*12-28H,1-11H3;2*6-20H,1-5H3;2*6-22H,1-5H3
InChIKeyFDYNHZSWTFLIBT-UHFFFAOYSA-N
MW4597.70 g/mol
LogP72.01
Rot. Bonds19

About N-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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

N-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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 (PubChem CID 158003005) has the molecular formula C327H311B8N9O7S and a molecular weight of 4597.70 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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
PubChem CID158003005
Molecular FormulaC327H311B8N9O7S
Molecular Weight4597.70 g/mol
Exact Mass4595.47
IUPAC NameN-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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
SMILESCC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc(Oc5ccccc5)ccc4C(C)(C)c4c(C(C)(C)C)ccc2c43)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc5c(cc4C(C)(C)c4c(C(C)(C)C)ccc2c43)oc2ccccc25)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4ccc(Oc5ccccc5)cc4C(C)(C)c4c(C(C)(C)C)ccc2c43)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4c2ccc(C)c4C(C)(C)c2ccc4oc5ccccc5c4c23)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc(Oc5ccccc5)ccc4C(C)(C)c4c(C)ccc2c43)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc5c(cc4C(C)(C)c4c(C)ccc2c43)oc2ccccc25)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc4C(C)(C)c4c(C)ccc2c43)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4ccc(Oc5ccccc5)cc4C(C)(C)c4c(C)ccc2c43)cc1
InChIInChI=1S/C48H39BN2S.C45H48BNO.2C45H50BNO.2C36H30BNO.2C36H32BNO/c1-30-15-19-34(20-16-30)51-42-24-17-31(2)27-41(42)49-40-23-21-36(29-39(40)48(4,5)46-32(3)18-25-43(51)47(46)49)50(33-11-7-6-8-12-33)35-22-26-45-38(28-35)37-13-9-10-14-44(37)52-45;1-42(2,3)27-16-19-29(20-17-27)47-36-22-18-28(43(4,5)6)24-35(36)46-34-25-31-30-14-12-13-15-38(30)48-39(31)26-33(34)45(10,11)40-32(44(7,8)9)21-23-37(47)41(40)46;1-42(2,3)29-17-20-31(21-18-29)47-38-25-19-30(43(4,5)6)27-37(38)46-36-24-22-33(48-32-15-13-12-14-16-32)28-35(36)45(10,11)40-34(44(7,8)9)23-26-39(47)41(40)46;1-42(2,3)29-17-20-31(21-18-29)47-38-25-19-30(43(4,5)6)27-37(38)46-36-28-33(48-32-15-13-12-14-16-32)22-23-34(36)45(10,11)40-35(44(7,8)9)24-26-39(47)41(40)46;1-21-10-14-24(15-11-21)38-28-17-12-22(2)20-27(28)37-34-26(36(4,5)33-23(3)13-18-29(38)35(33)37)16-19-31-32(34)25-8-6-7-9-30(25)39-31;1-21-10-14-24(15-11-21)38-30-16-12-22(2)18-29(30)37-28-19-26-25-8-6-7-9-32(25)39-33(26)20-27(28)36(4,5)34-23(3)13-17-31(38)35(34)37;1-23-11-15-26(16-12-23)38-32-19-13-24(2)21-31(32)37-30-18-17-28(39-27-9-7-6-8-10-27)22-29(30)36(4,5)34-25(3)14-20-33(38)35(34)37;1-23-11-15-26(16-12-23)38-32-19-13-24(2)21-31(32)37-30-22-28(39-27-9-7-6-8-10-27)17-18-29(30)36(4,5)34-25(3)14-20-33(38)35(34)37/h6-29H,1-5H3;12-26H,1-11H3;2*12-28H,1-11H3;2*6-20H,1-5H3;2*6-22H,1-5H3
InChIKeyFDYNHZSWTFLIBT-UHFFFAOYSA-N
XLogP72.01
TPSA105.50 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms352
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004597.70
LogP ≤ 572.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze N-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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 with MolForge

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Related Compounds

N-dibenzofuran-2-yl-4,12,14,14-tetramethyl-N-phenyl-8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;N-dibenzofuran-4-yl-4,12,14,14-tetramethyl-N-phenyl-8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;N-dibenzothiophen-4-yl-4,12,14,14-tetramethyl-N-phenyl-8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;4,12-ditert-butyl-N-dibenzothiophen-2-yl-14,14-dimethyl-N-phenyl-8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine
CID 162078331
4,12-ditert-butyl-N-dibenzofuran-2-yl-14,14-dimethyl-N-phenyl-8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine
CID 153498331
15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-thia-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene
CID 153498181
4,12-ditert-butyl-17-(3,5-diphenylphenyl)-14,14-dimethyl-8-oxa-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;4,12-ditert-butyl-18-(3,5-diphenylphenyl)-14,14-dimethyl-8-oxa-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;17-(3,5-diphenylphenyl)-4,12,14,14-tetramethyl-8-oxa-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
CID 159969092
4,18-ditert-butyl-8-(4-tert-butyl-3-dibenzofuran-3-ylphenyl)-14-(4-tert-butylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171740590
25-tert-butyl-N-[9-[[25-tert-butyl-18-(4-tert-butyl-N-dibenzofuran-2-ylanilino)-7,10,10-trimethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaen-7-yl]methyl]dibenzothiophen-3-yl]-7,7,10,10-tetramethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaen-18-amine
CID 174045032
5-N-dibenzofuran-2-yl-10-methyl-5-N-(4-methylphenyl)-17-N,17-N,14-triphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine
CID 144879199
N,N,15-tris(4-tert-butylphenyl)-21-dibenzofuran-4-yl-18-phenyl-5-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaen-24-amine
CID 171762805
4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-dibenzofuran-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171740589
25-tert-butyl-N-dibenzothiophen-3-yl-7,7,10,10-tetramethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaen-18-amine
CID 167372062
12-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(4-tert-butyl-2-phenylphenyl)-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-amine;12-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-amine;12-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-amine
CID 165046214
11,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[1-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-3-yl]-N,N-bis(4-methylphenyl)-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-nonaen-5-amine
CID 174265509

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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?
The IUPAC name of N-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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 (CID 158003005) is N-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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.
What is the SMILES notation for N-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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?
The canonical SMILES for N-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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 is CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc(Oc5ccccc5)ccc4C(C)(C)c4c(C(C)(C)C)ccc2c43)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc5c(cc4C(C)(C)c4c(C(C)(C)C)ccc2c43)oc2ccccc25)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4ccc(Oc5ccccc5)cc4C(C)(C)c4c(C(C)(C)C)ccc2c43)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4c2ccc(C)c4C(C)(C)c2ccc4oc5ccccc5c4c23)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc(Oc5ccccc5)ccc4C(C)(C)c4c(C)ccc2c43)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc5c(cc4C(C)(C)c4c(C)ccc2c43)oc2ccccc25)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc4C(C)(C)c4c(C)ccc2c43)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4ccc(Oc5ccccc5)cc4C(C)(C)c4c(C)ccc2c43)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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?
The InChIKey is FDYNHZSWTFLIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39BN2S.C45H48BNO.2C45H50BNO.2C36H30BNO.2C36H32BNO/c1-30-15-19-34(20-16-30)51-42-24-17-31(2)27-41(42)49-40-23-21-36(29-39(40)48(4,5)46-32(3)18-25-43(51)47(46)49)50(33-11-7-6-8-12-33)35-22-26-45-38(28-35)37-13-9-10-14-44(37)52-45;1-42(2,3)27-16-19-29(20-17-27)47-36-22-18-28(43(4,5)6)24-35(36)46-34-25-31-30-14-12-13-15-38(30)48-39(31)26-33(34)45(10,11)40-32(44(7,8)9)21-23-37(47)41(40)46;1-42(2,3)29-17-20-31(21-18-29)47-38-25-19-30(43(4,5)6)27-37(38)46-36-24-22-33(48-32-15-13-12-14-16-32)28-35(36)45(10,11)40-34(44(7,8)9)23-26-39(47)41(40)46;1-42(2,3)29-17-20-31(21-18-29)47-38-25-19-30(43(4,5)6)27-37(38)46-36-28-33(48-32-15-13-12-14-16-32)22-23-34(36)45(10,11)40-35(44(7,8)9)24-26-39(47)41(40)46;1-21-10-14-24(15-11-21)38-28-17-12-22(2)20-27(28)37-34-26(36(4,5)33-23(3)13-18-29(38)35(33)37)16-19-31-32(34)25-8-6-7-9-30(25)39-31;1-21-10-14-24(15-11-21)38-30-16-12-22(2)18-29(30)37-28-19-26-25-8-6-7-9-32(25)39-33(26)20-27(28)36(4,5)34-23(3)13-17-31(38)35(34)37;1-23-11-15-26(16-12-23)38-32-19-13-24(2)21-31(32)37-30-18-17-28(39-27-9-7-6-8-10-27)22-29(30)36(4,5)34-25(3)14-20-33(38)35(34)37;1-23-11-15-26(16-12-23)38-32-19-13-24(2)21-31(32)37-30-22-28(39-27-9-7-6-8-10-27)17-18-29(30)36(4,5)34-25(3)14-20-33(38)35(34)37/h6-29H,1-5H3;12-26H,1-11H3;2*12-28H,1-11H3;2*6-20H,1-5H3;2*6-22H,1-5H3.
What are the key properties of N-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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?
N-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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 has a molecular weight of 4597.70 g/mol, XLogP of 72.01, 19 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-4,12,14,14-tetramethyl-8-(4-methylphenyl)-N-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-17-amine;17,25-ditert-butyl-21-(4-tert-butylphenyl)-15,15-dimethyl-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-17-phenoxy-8-aza-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;4,12-ditert-butyl-8-(4-tert-butylphenyl)-14,14-dimethyl-18-phenoxy-8-aza-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;15,15,17,25-tetramethyl-21-(4-methylphenyl)-10-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene;15,15,17,25-tetramethyl-21-(4-methylphenyl)-11-oxa-21-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene;4,12,14,14-tetramethyl-8-(4-methylphenyl)-17-phenoxy-8-aza-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;4,12,14,14-tetramethyl-8-(4-methylphenyl)-18-phenoxy-8-aza-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 is sourced from PubChem (CID 158003005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).