8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine

C115H91B3N8OS2 — CID 162714374

IUPAC8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine
SMILESCc1ccccc1N1c2cc3c(cc2B2c4cc5c(cc4Oc4cc(N(c6ccccc6)c6ccccc6)cc1c42)N(c1ccccc1C)c1cc(N(c2ccccc2)c2ccccc2)cc2c1B5c1sc(C(C)(C)C)cc1N2c1ccccc1)B1c2sc(C(C)(C)C)cc2N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc(c21)N3c1ccccc1C
InChIInChI=1S/C115H91B3N8OS2/c1-74-40-34-37-59-92(74)124-96-70-95-88(68-89(96)117-109-98(122(83-55-30-16-31-56-83)103-72-107(114(4,5)6)128-112(103)117)62-85(64-100(109)124)119(77-43-18-10-19-44-77)78-45-20-11-21-46-78)116-91-69-90-97(71-105(91)127-106-67-87(66-102(111(106)116)125(95)93-60-38-35-41-75(93)2)121(81-51-26-14-27-52-81)82-53-28-15-29-54-82)126(94-61-39-36-42-76(94)3)101-65-86(120(79-47-22-12-23-48-79)80-49-24-13-25-50-80)63-99-110(101)118(90)113-104(73-108(129-113)115(7,8)9)123(99)84-57-32-17-33-58-84/h10-73H,1-9H3
InChIKeyRNBYIUIVOGFUGF-UHFFFAOYSA-N
MW1697.62 g/mol
LogP26.31
Rot. Bonds14

About 8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine

8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine (PubChem CID 162714374) has the molecular formula C115H91B3N8OS2 and a molecular weight of 1697.62 g/mol. Its IUPAC name is 8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine.

Molecular Properties

Compound Name8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine
PubChem CID162714374
Molecular FormulaC115H91B3N8OS2
Molecular Weight1697.62 g/mol
Exact Mass1696.70
IUPAC Name8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine
SMILESCc1ccccc1N1c2cc3c(cc2B2c4cc5c(cc4Oc4cc(N(c6ccccc6)c6ccccc6)cc1c42)N(c1ccccc1C)c1cc(N(c2ccccc2)c2ccccc2)cc2c1B5c1sc(C(C)(C)C)cc1N2c1ccccc1)B1c2sc(C(C)(C)C)cc2N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc(c21)N3c1ccccc1C
InChIInChI=1S/C115H91B3N8OS2/c1-74-40-34-37-59-92(74)124-96-70-95-88(68-89(96)117-109-98(122(83-55-30-16-31-56-83)103-72-107(114(4,5)6)128-112(103)117)62-85(64-100(109)124)119(77-43-18-10-19-44-77)78-45-20-11-21-46-78)116-91-69-90-97(71-105(91)127-106-67-87(66-102(111(106)116)125(95)93-60-38-35-41-75(93)2)121(81-51-26-14-27-52-81)82-53-28-15-29-54-82)126(94-61-39-36-42-76(94)3)101-65-86(120(79-47-22-12-23-48-79)80-49-24-13-25-50-80)63-99-110(101)118(90)113-104(73-108(129-113)115(7,8)9)123(99)84-57-32-17-33-58-84/h10-73H,1-9H3
InChIKeyRNBYIUIVOGFUGF-UHFFFAOYSA-N
XLogP26.31
TPSA35.15 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001697.62
LogP ≤ 526.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

18,22,32-trimethyl-15-N,15-N,25-N,25-N,35-N,35-N,38-heptakis-phenyl-12,28-dioxa-18,22,32,38-tetraza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33(50),34,36,39,41,43,46-henicosaene-15,25,35-triamine
CID 163937506
14-N,14-N,24-N,24-N,8,9,11,17,27-nonakis-phenyl-21-oxa-7-thia-11,17,27-triaza-1,5-diboranonacyclo[20.11.1.15,12.02,20.04,18.06,10.026,34.028,33.016,35]pentatriaconta-2,4(18),6(10),8,12,14,16(35),19,22,24,26(34),28,30,32-tetradecaene-14,24-diamine
CID 169046153
15-N,15-N,25-N,25-N,28-pentakis-phenyl-12,18,22-trioxa-28-aza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 162496409
11-N,11-N,31-N,31-N,51-N,51-N,14,34,54-nonakis-phenyl-8,28,48-trioxa-14,34,54-triaza-1,21,41-triborahexadecacyclo[47.11.1.19,13.129,33.02,47.04,45.05,24.07,22.015,20.025,44.027,42.035,40.053,61.055,60.021,63.041,62]trihexaconta-2,4,6,9,11,13(63),15,17,19,22,24,26,29,31,33(62),35,37,39,42,44,46,49,51,53(61),55,57,59-heptacosaene-11,31,51-triamine
CID 163580524
15-N,25-N,12,28-tetrakis[2-(4-tert-butylphenyl)phenyl]-15-N,25-N,22-triphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene-15,25-diamine
CID 164732967
15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-22-(2-pyridin-2-ylphenyl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 166011260
33-N,33-N,53-N,53-N,30,46,56-heptakis-phenyl-36,40,50-trioxa-12,30,46,56-tetraza-1,5,19,23-tetraboraheptadecacyclo[49.11.1.123,31.141,45.02,49.04,47.05,44.06,11.012,43.013,18.019,42.020,39.022,37.024,29.055,63.057,62.035,65]pentahexaconta-2(49),3,6,8,10,13,15,17,20(39),21,24,26,28,31(65),32,34,37,41,43,45(64),47,51,53,55(63),57,59,61-heptacosaene-33,53-diamine;16,22,46,50,56-pentakis-phenyl-40-oxa-12,16,22,46,50,56-hexaza-1,5,29,33-tetraboraheptadecacyclo[49.11.1.117,21.141,45.02,49.04,47.05,44.06,11.012,43.013,32.015,30.023,28.033,42.034,39.055,63.057,62.029,65]pentahexaconta-2,4(47),6,8,10,13(32),14,17,19,21(65),23,25,27,30,34,36,38,41,43,45(64),48,51,53,55(63),57,59,61-heptacosaene;33-N,33-N,53-N,53-N,46-pentakis-phenyl-30,36,40,50,56-pentaoxa-12,46-diaza-1,5,19,23-tetraboraheptadecacyclo[49.11.1.123,31.141,45.02,49.04,47.05,44.06,11.012,43.013,18.019,42.020,39.022,37.024,29.055,63.057,62.035,65]pentahexaconta-2(49),3,6,8,10,13,15,17,20,22(37),24,26,28,31(65),32,34,38,41,43,45(64),47,51,53,55(63),57,59,61-heptacosaene-33,53-diamine;46-phenyl-30,36,40,50,56-pentaoxa-12,46-diaza-1,5,19,23-tetraboraheptadecacyclo[49.11.1.123,31.141,45.02,49.04,47.05,44.06,11.012,43.013,18.019,42.020,39.022,37.024,29.055,63.057,62.035,65]pentahexaconta-2(49),3,6,8,10,13,15,17,20,22(37),24,26,28,31(65),32,34,38,41,43,45(64),47,51,53,55(63),57,59,61-heptacosaene
CID 158336597
N,N,14-triphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
CID 164807342
15-N,25-N,22-triphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene-15,25-diamine
CID 164732866
N,N,12,16,22-pentakis-phenyl-5-oxa-12,16,22-triaza-1-boraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2,4(13),6,8,10,14,17,19,21(29),23,25,27-dodecaen-19-amine
CID 155654356
35-(4-tert-butylphenyl)-11,18,28,38,45-pentakis(2-methylbutan-2-yl)-21,31-bis(2,4,6-trimethylphenyl)-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8(13),9,11,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43(48),44,46,53-tricosaene;8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N-hexakis-phenyl-11,21,37-trioxa-7,41-dithia-17,27,31-triaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12,14,16(49),19,22,24,26(47),28,30(44),32(48),33,35,38(42),39,45-nonadecaene-14,24,34-triamine;21,31,35-trimethyl-18,28,38-triphenoxy-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene;21,31,35-tris(2,6-difluorophenyl)-18-N,18-N,28-N,28-N,38-N,38-N-hexakis-phenyl-15,25,41-trioxa-7,49-dithia-21,31,35-triaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene-18,28,38-triamine
CID 163484715
26-phenyl-32,36,42-trioxa-12,26-diaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2(35),3,6,8,10,13,15,17,20,22,24,27(50),28,30,33,37,39,41(49),43,45,47-henicosaene;32-phenyl-26,36,42-trioxa-12,32-diaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2(35),3,6,8,10,13,15,17,20,22,24,27,29,31(50),33,37,39,41(49),43,45,47-henicosaene;N,N,26,42-tetraphenyl-32,36-dioxa-12,26,42-triaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaen-39-amine;bis(N,N,32,42-tetraphenyl-26,36-dioxa-12,32,42-triaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2(35),3,6,8,10,13,15,17,20,22,24,27,29,31(50),33,37,39,41(49),43,45,47-henicosaen-39-amine);26,36,42-triphenyl-32-oxa-12,26,36,42-tetraza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaene;N,N,26-triphenyl-32,36,42-trioxa-12,26-diaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2(35),3,6,8,10,13,15,17,20,22,24,27(50),28,30,33,37,39,41(49),43,45,47-henicosaen-39-amine;N,N,32-triphenyl-26,36,42-trioxa-12,32-diaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2(35),3,6,8,10,13,15,17,20,22,24,27,29,31(50),33,37,39,41(49),43,45,47-henicosaen-39-amine
CID 158529994

Frequently Asked Questions

What is the IUPAC name of 8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine?
The IUPAC name of 8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine (CID 162714374) is 8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine.
What is the SMILES notation for 8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine?
The canonical SMILES for 8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine is Cc1ccccc1N1c2cc3c(cc2B2c4cc5c(cc4Oc4cc(N(c6ccccc6)c6ccccc6)cc1c42)N(c1ccccc1C)c1cc(N(c2ccccc2)c2ccccc2)cc2c1B5c1sc(C(C)(C)C)cc1N2c1ccccc1)B1c2sc(C(C)(C)C)cc2N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc(c21)N3c1ccccc1C.
What is the InChIKey of 8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine?
The InChIKey is RNBYIUIVOGFUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C115H91B3N8OS2/c1-74-40-34-37-59-92(74)124-96-70-95-88(68-89(96)117-109-98(122(83-55-30-16-31-56-83)103-72-107(114(4,5)6)128-112(103)117)62-85(64-100(109)124)119(77-43-18-10-19-44-77)78-45-20-11-21-46-78)116-91-69-90-97(71-105(91)127-106-67-87(66-102(111(106)116)125(95)93-60-38-35-41-75(93)2)121(81-51-26-14-27-52-81)82-53-28-15-29-54-82)126(94-61-39-36-42-76(94)3)101-65-86(120(79-47-22-12-23-48-79)80-49-24-13-25-50-80)63-99-110(101)118(90)113-104(73-108(129-113)115(7,8)9)123(99)84-57-32-17-33-58-84/h10-73H,1-9H3.
What are the key properties of 8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine?
8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine has a molecular weight of 1697.62 g/mol, XLogP of 26.31, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8,40-ditert-butyl-17,27,31-tris(2-methylphenyl)-14-N,14-N,24-N,24-N,34-N,34-N,11,37-octakis-phenyl-21-oxa-7,41-dithia-11,17,27,31,37-pentaza-1,5,43-triboratridecacyclo[24.20.1.15,12.132,36.02,20.04,18.06,10.022,47.028,46.030,44.038,42.016,49.043,48]nonatetraconta-2,4(18),6(10),8,12(49),13,15,19,22,24,26(47),28,30(44),32,34,36(48),38(42),39,45-nonadecaene-14,24,34-triamine is sourced from PubChem (CID 162714374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).