8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene

C156H118B4N12 — CID 164985558

IUPAC8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c1n2-c1cc(-c2ccncc2)cc2c1B3c1cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n-2c13.c1ccc(N2c3ccccc3B3c4c2cc(-c2ccncc2)cc4-n2c4ccccc4c4cccc3c42)cc1.c1ccc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cc(-c5ccncc5)cc2c43)cc1.c1ccc2c(c1)c1cccc3c1n2-c1cc(-c2ccncc2)cc2c1B3c1cccc3c4ccccc4n-2c13
InChIInChI=1S/C51H52BN3.C35H20BN3.C35H22BN3.C35H24BN3/c1-48(2,3)31-13-15-41-35(23-31)37-25-33(50(7,8)9)27-39-46(37)54(41)43-21-30(29-17-19-53-20-18-29)22-44-45(43)52(39)40-28-34(51(10,11)12)26-38-36-24-32(49(4,5)6)14-16-42(36)55(44)47(38)40;1-3-13-29-23(7-1)25-9-5-11-27-34(25)38(29)31-19-22(21-15-17-37-18-16-21)20-32-33(31)36(27)28-12-6-10-26-24-8-2-4-14-30(24)39(32)35(26)28;1-2-9-25(10-3-1)38-31-16-7-5-13-28(31)36-29-14-8-12-27-26-11-4-6-15-30(26)39(35(27)29)33-22-24(21-32(38)34(33)36)23-17-19-37-20-18-23;1-3-11-27(12-4-1)38-31-17-9-7-15-29(31)36-30-16-8-10-18-32(30)39(28-13-5-2-6-14-28)34-24-26(23-33(38)35(34)36)25-19-21-37-22-20-25/h13-28H,1-12H3;1-20H;1-22H;1-24H
InChIKeyGCMHAXKWOSVREC-UHFFFAOYSA-N
MW2203.99 g/mol
LogP30.65
Rot. Bonds7

About 8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene

8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene (PubChem CID 164985558) has the molecular formula C156H118B4N12 and a molecular weight of 2203.99 g/mol. Its IUPAC name is 8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene.

Molecular Properties

Compound Name8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene
PubChem CID164985558
Molecular FormulaC156H118B4N12
Molecular Weight2203.99 g/mol
Exact Mass2203.00
IUPAC Name8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c1n2-c1cc(-c2ccncc2)cc2c1B3c1cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n-2c13.c1ccc(N2c3ccccc3B3c4c2cc(-c2ccncc2)cc4-n2c4ccccc4c4cccc3c42)cc1.c1ccc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cc(-c5ccncc5)cc2c43)cc1.c1ccc2c(c1)c1cccc3c1n2-c1cc(-c2ccncc2)cc2c1B3c1cccc3c4ccccc4n-2c13
InChIInChI=1S/C51H52BN3.C35H20BN3.C35H22BN3.C35H24BN3/c1-48(2,3)31-13-15-41-35(23-31)37-25-33(50(7,8)9)27-39-46(37)54(41)43-21-30(29-17-19-53-20-18-29)22-44-45(43)52(39)40-28-34(51(10,11)12)26-38-36-24-32(49(4,5)6)14-16-42(36)55(44)47(38)40;1-3-13-29-23(7-1)25-9-5-11-27-34(25)38(29)31-19-22(21-15-17-37-18-16-21)20-32-33(31)36(27)28-12-6-10-26-24-8-2-4-14-30(24)39(32)35(26)28;1-2-9-25(10-3-1)38-31-16-7-5-13-28(31)36-29-14-8-12-27-26-11-4-6-15-30(26)39(35(27)29)33-22-24(21-32(38)34(33)36)23-17-19-37-20-18-23;1-3-11-27(12-4-1)38-31-17-9-7-15-29(31)36-30-16-8-10-18-32(30)39(28-13-5-2-6-14-28)34-24-26(23-33(38)35(34)36)25-19-21-37-22-20-25/h13-28H,1-12H3;1-20H;1-22H;1-24H
InChIKeyGCMHAXKWOSVREC-UHFFFAOYSA-N
XLogP30.65
TPSA85.93 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002203.99
LogP ≤ 530.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene with MolForge

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Related Compounds

14,32-ditert-butyl-10,36-diphenyl-10,20,26,36-tetraza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.011,16.021,45.027,39.029,37.030,35.020,47.044,46]heptatetraconta-2(47),3,5,7,9(17),11(16),12,14,18,21(45),22,24,27,29(37),30(35),31,33,38,40,42,44(46)-henicosaene
CID 168799433
5,17-ditert-butyl-11-(9-phenylcarbazol-3-yl)-8,14-bis(4-phenylphenyl)-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 164936332
5,21-diphenyl-24-(2-phenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9,11,13(27),15,17,19,22,24-dodecaene
CID 155618088
4,18-ditert-butyl-11-(9-phenylcarbazol-1-yl)-8,14-bis(4-phenylphenyl)-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 164936352
17-(3,5-ditert-butylphenyl)-35-phenyl-14,20,35-triaza-2-boraundecacyclo[18.17.1.12,15.13,7.08,13.021,26.027,38.028,36.029,34.014,40.019,39]tetraconta-1(37),3(40),4,6,8,10,12,15(39),16,18,21,23,25,27(38),28(36),29,31,33-octadecaene
CID 176851580
4-tert-butyl-8,14-bis(4-carbazol-9-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 153497436
22,28,36,42-tetratert-butyl-19,25,39,45-tetraza-1,7,32-triboraheptadecacyclo[38.16.1.12,6.17,20.18,12.145,52.03,39.04,32.05,25.013,18.026,31.033,38.044,57.046,51.019,60.024,59.056,58]henhexaconta-2,4,6(61),8(60),9,11,13,15,17,20(59),21,23,26(31),27,29,33(38),34,36,40,42,44(57),46,48,50,52,54,56(58)-heptacosaene
CID 169037765
5,11,22-triphenyl-5,11,22,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene
CID 171607602
35-tert-butyl-41-(3,6-ditert-butylcarbazol-9-yl)-32,38-bis(4-phenylphenyl)-28,32,38-triaza-1-boraundecacyclo[31.11.1.117,21.02,31.04,29.05,10.011,16.022,27.037,45.039,44.028,46]hexatetraconta-2,4(29),5,7,9,11,13,15,17(46),18,20,22,24,26,30,33,35,37(45),39(44),40,42-henicosaene
CID 171436133
4,16-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene
CID 169068731
11-[3-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-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
CID 155785960
N,N,11,27-tetraphenyl-1,11,27-triaza-20-boranonacyclo[17.13.1.120,28.02,14.04,12.05,10.015,33.021,26.032,34]tetratriaconta-2(14),3,5,7,9,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-30-amine
CID 177260327

Frequently Asked Questions

What is the IUPAC name of 8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?
The IUPAC name of 8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene (CID 164985558) is 8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene.
What is the SMILES notation for 8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?
The canonical SMILES for 8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c1n2-c1cc(-c2ccncc2)cc2c1B3c1cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n-2c13.c1ccc(N2c3ccccc3B3c4c2cc(-c2ccncc2)cc4-n2c4ccccc4c4cccc3c42)cc1.c1ccc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cc(-c5ccncc5)cc2c43)cc1.c1ccc2c(c1)c1cccc3c1n2-c1cc(-c2ccncc2)cc2c1B3c1cccc3c4ccccc4n-2c13.
What is the InChIKey of 8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?
The InChIKey is GCMHAXKWOSVREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H52BN3.C35H20BN3.C35H22BN3.C35H24BN3/c1-48(2,3)31-13-15-41-35(23-31)37-25-33(50(7,8)9)27-39-46(37)54(41)43-21-30(29-17-19-53-20-18-29)22-44-45(43)52(39)40-28-34(51(10,11)12)26-38-36-24-32(49(4,5)6)14-16-42(36)55(44)47(38)40;1-3-13-29-23(7-1)25-9-5-11-27-34(25)38(29)31-19-22(21-15-17-37-18-16-21)20-32-33(31)36(27)28-12-6-10-26-24-8-2-4-14-30(24)39(32)35(26)28;1-2-9-25(10-3-1)38-31-16-7-5-13-28(31)36-29-14-8-12-27-26-11-4-6-15-30(26)39(35(27)29)33-22-24(21-32(38)34(33)36)23-17-19-37-20-18-23;1-3-11-27(12-4-1)38-31-17-9-7-15-29(31)36-30-16-8-10-18-32(30)39(28-13-5-2-6-14-28)34-24-26(23-33(38)35(34)36)25-19-21-37-22-20-25/h13-28H,1-12H3;1-20H;1-22H;1-24H.
What are the key properties of 8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?
8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene has a molecular weight of 2203.99 g/mol, XLogP of 30.65, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14-diphenyl-11-pyridin-4-yl-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;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene is sourced from PubChem (CID 164985558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).