23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene

C183H156B4N10O2S2 — CID 158181052

IUPAC23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene
SMILESCc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(c4ccccc4n1-c1ccccc1)B3c1c3c4c(cccc4n1-c1ccccc1)-c1ccccc1N23.Cc1cc2c3c(c1)N1C4=C(B3C3=C(N2c2ccc(C(C)(C)C)cc2)C(C)(C)c2ccccc23)C(C)(C)c2cccc(c24)C(C)(C)c2ccccc21.Cc1cc2c3c(c1)N1c4ccccc4C(C)(C)c4cccc5oc(c1c45)B3c1c(oc3ccccc13)N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N1c4ccccc4C(C)(C)c4cccc5sc(c1c45)B3c1c(sc3ccccc13)N2c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C51H39BN4.C48H47BN2.C42H35BN2O2.C42H35BN2S2/c1-32-30-43-47-44(31-32)56-40-23-13-11-20-37(40)38-22-15-25-42-45(38)48(56)49(53(42)34-16-7-5-8-17-34)52(47)46-39-21-12-14-24-41(39)54(35-18-9-6-10-19-35)50(46)55(43)36-28-26-33(27-29-36)51(2,3)4;1-28-26-37-41-38(27-28)51-36-21-14-13-18-33(36)46(5,6)34-19-15-20-35-39(34)42(51)43(47(35,7)8)49(41)40-31-16-11-12-17-32(31)48(9,10)44(40)50(37)30-24-22-29(23-25-30)45(2,3)4;2*1-24-22-31-37-32(23-24)45-30-15-9-8-13-28(30)42(5,6)29-14-11-17-34-35(29)38(45)39(46-34)43(37)36-27-12-7-10-16-33(27)47-40(36)44(31)26-20-18-25(19-21-26)41(2,3)4/h5-31H,1-4H3;11-27H,1-10H3;2*7-23H,1-6H3
InChIKeyFYPDZWMXXNIMFR-UHFFFAOYSA-N
MW2634.71 g/mol
LogP42.61
Rot. Bonds6

About 23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene

23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene (PubChem CID 158181052) has the molecular formula C183H156B4N10O2S2 and a molecular weight of 2634.71 g/mol. Its IUPAC name is 23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene.

Molecular Properties

Compound Name23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene
PubChem CID158181052
Molecular FormulaC183H156B4N10O2S2
Molecular Weight2634.71 g/mol
Exact Mass2633.22
IUPAC Name23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene
SMILESCc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(c4ccccc4n1-c1ccccc1)B3c1c3c4c(cccc4n1-c1ccccc1)-c1ccccc1N23.Cc1cc2c3c(c1)N1C4=C(B3C3=C(N2c2ccc(C(C)(C)C)cc2)C(C)(C)c2ccccc23)C(C)(C)c2cccc(c24)C(C)(C)c2ccccc21.Cc1cc2c3c(c1)N1c4ccccc4C(C)(C)c4cccc5oc(c1c45)B3c1c(oc3ccccc13)N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N1c4ccccc4C(C)(C)c4cccc5sc(c1c45)B3c1c(sc3ccccc13)N2c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C51H39BN4.C48H47BN2.C42H35BN2O2.C42H35BN2S2/c1-32-30-43-47-44(31-32)56-40-23-13-11-20-37(40)38-22-15-25-42-45(38)48(56)49(53(42)34-16-7-5-8-17-34)52(47)46-39-21-12-14-24-41(39)54(35-18-9-6-10-19-35)50(46)55(43)36-28-26-33(27-29-36)51(2,3)4;1-28-26-37-41-38(27-28)51-36-21-14-13-18-33(36)46(5,6)34-19-15-20-35-39(34)42(51)43(47(35,7)8)49(41)40-31-16-11-12-17-32(31)48(9,10)44(40)50(37)30-24-22-29(23-25-30)45(2,3)4;2*1-24-22-31-37-32(23-24)45-30-15-9-8-13-28(30)42(5,6)29-14-11-17-34-35(29)38(45)39(46-34)43(37)36-27-12-7-10-16-33(27)47-40(36)44(31)26-20-18-25(19-21-26)41(2,3)4/h5-31H,1-4H3;11-27H,1-10H3;2*7-23H,1-6H3
InChIKeyFYPDZWMXXNIMFR-UHFFFAOYSA-N
XLogP42.61
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002634.71
LogP ≤ 542.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene with MolForge

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Related Compounds

8-(4-tert-butylphenyl)-11-methoxy-14,22-diphenyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;23-(4-tert-butylphenyl)-N,10,10,31,31-pentamethyl-N-phenyl-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-20-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-thia-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine
CID 165003071
19,25-diphenyl-3,27-dioxa-19,25-diaza-1-boranonacyclo[18.14.1.02,18.04,17.05,10.011,16.024,35.026,34.028,33]pentatriaconta-2(18),4(17),5,7,9,11,13,15,20(35),21,23,26(34),28,30,32-pentadecaene;11,21-diphenyl-17-(3-phenylphenyl)-9,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19(24),20,22-undecaene;11-(3,5-diphenylphenyl)-N,N,17-triphenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaen-21-amine;9,9,25,25-tetramethyl-11-phenyl-17-(4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene
CID 161008525
23-(4-tert-butylphenyl)-10,20-dimethyl-10-[3-methyl-3-[4-[10,10,31,31-tetramethyl-20-(N-phenylanilino)-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-23-yl]phenyl]butyl]-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine
CID 159613563
3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene
CID 158054130
11-dibenzofuran-2-yl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;9,25-diphenyl-11,17-di(pyrimidin-5-yl)-9,11,17,25-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;11,17-diphenyl-9,25-dithia-11,17-diaza-1λ5-phosphaheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene 1-oxide;11-phenyl-9,25-dioxa-17-selena-11-aza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19,21,23-undecaene
CID 162087874
11,17-diphenyl-9,19-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-2(10),3,5,7,12(27),13,15,20,22,24-decaene;11,17-diphenyl-9,19-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-2(10),3,5,7,12(27),13,15,20,22,24-decaene;9,9,19,19-tetramethyl-11,17-diphenyl-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-2(10),3,5,7,12,14,16(27),20,22,24-decaene;9,11,17,19-tetraphenyl-9,11,17,19-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-2(10),3,5,7,12(27),13,15,20,22,24-decaene
CID 164958993
21-(4-tert-butylphenyl)-11-[3-(4-tert-butylphenyl)phenyl]-14-methyl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19(24),20,22-undecaene
CID 158046355
9-tert-butyl-18,24-bis(4-tert-butylphenyl)-13,13,21-trimethyl-5,26-dioxa-18,24-diaza-1-boranonacyclo[17.14.1.02,17.04,15.06,14.07,12.023,34.025,33.027,32]tetratriaconta-2,4(15),6(14),7(12),8,10,16,19(34),20,22,25(33),27,29,31-tetradecaene;[3-[17-(4-tert-butylphenyl)-14,22,22,25,25-pentamethyl-27-oxa-9-thia-11,17-diaza-1-boraoctacyclo[14.14.1.02,10.03,8.012,31.018,30.020,28.021,26]hentriaconta-2(10),3,5,7,12,14,16(31),18,20(28),21(26),29-undecaen-11-yl]phenyl]-triphenylsilane;4,4,7,7,14,22,22,25,25-nonamethyl-11,17-diphenyl-9,27-dioxa-11,17-diaza-1-boraoctacyclo[14.14.1.02,10.03,8.012,31.018,30.020,28.021,26]hentriaconta-2(10),3(8),12,14,16(31),18,20(28),21(26),29-nonaene
CID 165079615
15,21,25,31-tetrakis(4-tert-butylphenyl)-39,39-dimethyl-7-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene
CID 162423773
18,27-ditert-butyl-15,21,24,30-tetrakis(4-tert-butylphenyl)-40-oxa-3,13-dithia-15,21,24,30-tetraza-1,5-diboradodecacyclo[23.18.1.15,16.02,23.04,22.06,14.07,12.029,44.031,43.033,41.034,39.020,45]pentatetraconta-2(23),4(22),6(14),7,9,11,16,18,20(45),25,27,29(44),31,33(41),34,36,38,42-octadecaene
CID 162423851
37-(4-tert-butylphenyl)-11-(4-tert-butyl-2-phenylphenyl)-21,21-dimethyl-3-oxa-32-thia-11,37-diaza-1-boradecacyclo[21.14.1.02,10.04,9.012,38.014,22.015,20.024,36.025,33.026,31]octatriaconta-2(10),4,6,8,12(38),13,15,17,19,22,24(36),25(33),26,28,30,34-hexadecaene
CID 174128679
12-tert-butyl-22-(4-tert-butylphenyl)-19-(2,3,4,5,6-pentadeuteriophenyl)-24,33-di(pyrimidin-5-yl)-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10(15),11,13,17,19,21(32),23(31),25,27,29-tetradecaene
CID 160648162

Frequently Asked Questions

What is the IUPAC name of 23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene?
The IUPAC name of 23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene (CID 158181052) is 23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene.
What is the SMILES notation for 23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene?
The canonical SMILES for 23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene is Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(c4ccccc4n1-c1ccccc1)B3c1c3c4c(cccc4n1-c1ccccc1)-c1ccccc1N23.Cc1cc2c3c(c1)N1C4=C(B3C3=C(N2c2ccc(C(C)(C)C)cc2)C(C)(C)c2ccccc23)C(C)(C)c2cccc(c24)C(C)(C)c2ccccc21.Cc1cc2c3c(c1)N1c4ccccc4C(C)(C)c4cccc5oc(c1c45)B3c1c(oc3ccccc13)N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N1c4ccccc4C(C)(C)c4cccc5sc(c1c45)B3c1c(sc3ccccc13)N2c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene?
The InChIKey is FYPDZWMXXNIMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39BN4.C48H47BN2.C42H35BN2O2.C42H35BN2S2/c1-32-30-43-47-44(31-32)56-40-23-13-11-20-37(40)38-22-15-25-42-45(38)48(56)49(53(42)34-16-7-5-8-17-34)52(47)46-39-21-12-14-24-41(39)54(35-18-9-6-10-19-35)50(46)55(43)36-28-26-33(27-29-36)51(2,3)4;1-28-26-37-41-38(27-28)51-36-21-14-13-18-33(36)46(5,6)34-19-15-20-35-39(34)42(51)43(47(35,7)8)49(41)40-31-16-11-12-17-32(31)48(9,10)44(40)50(37)30-24-22-29(23-25-30)45(2,3)4;2*1-24-22-31-37-32(23-24)45-30-15-9-8-13-28(30)42(5,6)29-14-11-17-34-35(29)38(45)39(46-34)43(37)36-27-12-7-10-16-33(27)47-40(36)44(31)26-20-18-25(19-21-26)41(2,3)4/h5-31H,1-4H3;11-27H,1-10H3;2*7-23H,1-6H3.
What are the key properties of 23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene?
23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene has a molecular weight of 2634.71 g/mol, XLogP of 42.61, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(4-tert-butylphenyl)-10,10,20,25,25,34,34-heptamethyl-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;22-(4-tert-butylphenyl)-19-methyl-24,33-diphenyl-16,22,24,33-tetraza-1-boranonacyclo[15.14.1.12,5.03,16.04,9.010,15.021,32.023,31.025,30]tritriaconta-2,4(9),5,7,10,12,14,17,19,21(32),23(31),25,27,29-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dioxa-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene;23-(4-tert-butylphenyl)-10,10,20-trimethyl-25,34-dithia-17,23-diaza-1-boranonacyclo[16.14.1.12,5.03,17.04,9.011,16.022,33.024,32.026,31]tetratriaconta-2,4(9),5,7,11,13,15,18,20,22(33),24(32),26,28,30-tetradecaene is sourced from PubChem (CID 158181052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).