11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene

C194H119B5N12OS2 — CID 158547868

IUPAC11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene
SMILESc1ccc(-c2cc3c4c(c2)-c2cccc5c2B(N4c2ccccc2S3)N2c3ccccc3Sc3cc(-c4ccccc4)cc-5c32)cc1.c1ccc(-c2cc3c4c(c2)c2ccccc2n4B2c4c-3cccc4-c3cc(-c4ccccc4)cc4c5ccccc5n2c34)cc1.c1ccc(-c2ccc3c(c2)-c2cccc4c2B2N3c3cccc5cccc(c35)N2c2ccc(-c3ccccc3)cc2-4)cc1.c1ccc(-c2ccc3c(c2)-c2cccc4c2B2N3c3cccc5oc6cccc(c6c35)N2c2ccc(-c3ccccc3)cc2-4)cc1.c1ccc(N2B3c4c(cccc4-c4cccnc4N3c3ccccc3)-c3cccnc32)cc1
InChIInChI=1S/C42H25BN2O.C42H25BN2S2.C42H25BN2.C40H25BN2.C28H19BN4/c1-3-10-26(11-4-1)28-20-22-34-32(24-28)30-14-7-15-31-33-25-29(27-12-5-2-6-13-27)21-23-35(33)45-37-17-9-19-39-41(37)40-36(16-8-18-38(40)46-39)44(34)43(45)42(30)31;1-3-12-26(13-4-1)28-22-32-30-16-11-17-31-33-23-29(27-14-5-2-6-15-27)25-39-42(33)45(35-19-8-10-21-37(35)47-39)43(40(30)31)44-34-18-7-9-20-36(34)46-38(24-28)41(32)44;1-3-12-26(13-4-1)28-22-34-30-16-7-9-20-38(30)44-41(34)36(24-28)32-18-11-19-33-37-25-29(27-14-5-2-6-15-27)23-35-31-17-8-10-21-39(31)45(42(35)37)43(44)40(32)33;1-3-10-26(11-4-1)29-20-22-35-33(24-29)31-16-9-17-32-34-25-30(27-12-5-2-6-13-27)21-23-36(34)43-38-19-8-15-28-14-7-18-37(39(28)38)42(35)41(43)40(31)32;1-3-10-20(11-4-1)32-27-24(16-8-18-30-27)22-14-7-15-23-25-17-9-19-31-28(25)33(29(32)26(22)23)21-12-5-2-6-13-21/h1-25H;1-25H;1-25H;1-25H;1-19H
InChIKeyHPIRZBSGTOHVOW-UHFFFAOYSA-N
MW2752.36 g/mol
LogP47.47
Rot. Bonds10

About 11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene

11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene (PubChem CID 158547868) has the molecular formula C194H119B5N12OS2 and a molecular weight of 2752.36 g/mol. Its IUPAC name is 11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene.

Molecular Properties

Compound Name11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene
PubChem CID158547868
Molecular FormulaC194H119B5N12OS2
Molecular Weight2752.36 g/mol
Exact Mass2750.95
IUPAC Name11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene
SMILESc1ccc(-c2cc3c4c(c2)-c2cccc5c2B(N4c2ccccc2S3)N2c3ccccc3Sc3cc(-c4ccccc4)cc-5c32)cc1.c1ccc(-c2cc3c4c(c2)c2ccccc2n4B2c4c-3cccc4-c3cc(-c4ccccc4)cc4c5ccccc5n2c34)cc1.c1ccc(-c2ccc3c(c2)-c2cccc4c2B2N3c3cccc5cccc(c35)N2c2ccc(-c3ccccc3)cc2-4)cc1.c1ccc(-c2ccc3c(c2)-c2cccc4c2B2N3c3cccc5oc6cccc(c6c35)N2c2ccc(-c3ccccc3)cc2-4)cc1.c1ccc(N2B3c4c(cccc4-c4cccnc4N3c3ccccc3)-c3cccnc32)cc1
InChIInChI=1S/C42H25BN2O.C42H25BN2S2.C42H25BN2.C40H25BN2.C28H19BN4/c1-3-10-26(11-4-1)28-20-22-34-32(24-28)30-14-7-15-31-33-25-29(27-12-5-2-6-13-27)21-23-35(33)45-37-17-9-19-39-41(37)40-36(16-8-18-38(40)46-39)44(34)43(45)42(30)31;1-3-12-26(13-4-1)28-22-32-30-16-11-17-31-33-23-29(27-14-5-2-6-15-27)25-39-42(33)45(35-19-8-10-21-37(35)47-39)43(40(30)31)44-34-18-7-9-20-36(34)46-38(24-28)41(32)44;1-3-12-26(13-4-1)28-22-34-30-16-7-9-20-38(30)44-41(34)36(24-28)32-18-11-19-33-37-25-29(27-14-5-2-6-15-27)23-35-31-17-8-10-21-39(31)45(42(35)37)43(44)40(32)33;1-3-10-26(11-4-1)29-20-22-35-33(24-29)31-16-9-17-32-34-25-30(27-12-5-2-6-13-27)21-23-36(34)43-38-19-8-15-28-14-7-18-37(39(28)38)42(35)41(43)40(31)32;1-3-10-20(11-4-1)32-27-24(16-8-18-30-27)22-14-7-15-23-25-17-9-19-31-28(25)33(29(32)26(22)23)21-12-5-2-6-13-21/h1-25H;1-25H;1-25H;1-25H;1-19H
InChIKeyHPIRZBSGTOHVOW-UHFFFAOYSA-N
XLogP47.47
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms214
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002752.36
LogP ≤ 547.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene?
The IUPAC name of 11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene (CID 158547868) is 11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene.
What is the SMILES notation for 11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene?
The canonical SMILES for 11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene is c1ccc(-c2cc3c4c(c2)-c2cccc5c2B(N4c2ccccc2S3)N2c3ccccc3Sc3cc(-c4ccccc4)cc-5c32)cc1.c1ccc(-c2cc3c4c(c2)c2ccccc2n4B2c4c-3cccc4-c3cc(-c4ccccc4)cc4c5ccccc5n2c34)cc1.c1ccc(-c2ccc3c(c2)-c2cccc4c2B2N3c3cccc5cccc(c35)N2c2ccc(-c3ccccc3)cc2-4)cc1.c1ccc(-c2ccc3c(c2)-c2cccc4c2B2N3c3cccc5oc6cccc(c6c35)N2c2ccc(-c3ccccc3)cc2-4)cc1.c1ccc(N2B3c4c(cccc4-c4cccnc4N3c3ccccc3)-c3cccnc32)cc1.
What is the InChIKey of 11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene?
The InChIKey is HPIRZBSGTOHVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25BN2O.C42H25BN2S2.C42H25BN2.C40H25BN2.C28H19BN4/c1-3-10-26(11-4-1)28-20-22-34-32(24-28)30-14-7-15-31-33-25-29(27-12-5-2-6-13-27)21-23-35(33)45-37-17-9-19-39-41(37)40-36(16-8-18-38(40)46-39)44(34)43(45)42(30)31;1-3-12-26(13-4-1)28-22-32-30-16-11-17-31-33-23-29(27-14-5-2-6-15-27)25-39-42(33)45(35-19-8-10-21-37(35)47-39)43(40(30)31)44-34-18-7-9-20-36(34)46-38(24-28)41(32)44;1-3-12-26(13-4-1)28-22-34-30-16-7-9-20-38(30)44-41(34)36(24-28)32-18-11-19-33-37-25-29(27-14-5-2-6-15-27)23-35-31-17-8-10-21-39(31)45(42(35)37)43(44)40(32)33;1-3-10-26(11-4-1)29-20-22-35-33(24-29)31-16-9-17-32-34-25-30(27-12-5-2-6-13-27)21-23-36(34)43-38-19-8-15-28-14-7-18-37(39(28)38)42(35)41(43)40(31)32;1-3-10-20(11-4-1)32-27-24(16-8-18-30-27)22-14-7-15-23-25-17-9-19-31-28(25)33(29(32)26(22)23)21-12-5-2-6-13-21/h1-25H;1-25H;1-25H;1-25H;1-19H.
What are the key properties of 11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene?
11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene has a molecular weight of 2752.36 g/mol, XLogP of 47.47, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 11,21-diphenyl-2,30-diaza-1-boranonacyclo[16.12.1.12,9.119,23.03,8.014,31.024,29.013,33.030,32]tritriaconta-3,5,7,9(33),10,12,14(31),15,17,19,21,23(32),24,26,28-pentadecaene;15,25-diphenyl-1,11-diaza-29-boraoctacyclo[16.10.2.12,6.011,29.012,17.022,30.023,28.010,31]hentriaconta-2,4,6(31),7,9,12(17),13,15,18,20,22(30),23(28),24,26-tetradecaene;12,22-diphenyl-9,25-dithia-2,32-diaza-1-boranonacyclo[17.13.1.12,10.120,24.03,8.015,33.026,31.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,20(34),21,23,26,28,30-pentadecaene;18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene;2,20-diphenyl-2,4,18,20-tetraza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene is sourced from PubChem (CID 158547868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).