5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene

C76H62N4 — CID 146497068

IUPAC5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5c6cc(C(C)(C)C)ccc6n6c7ccc(C(C)(C)Cc8ccc9c%10c%11c%12ccccc%12n%12c%13ccccc%13c(cc%10n%10c%13ccccc%13c8c9%10)c%11%12)cc7c(cc4n2c13)c56
InChIInChI=1S/C76H62N4/c1-73(2,3)41-25-29-60-49(32-41)51-35-44(75(7,8)9)36-55-66-63(79(60)69(51)55)38-53-50-34-43(27-31-59(50)78-61-30-26-42(74(4,5)6)33-54(61)68(66)72(53)78)76(10,11)39-40-24-28-48-65-62(80-57-22-16-13-19-46(57)64(40)70(48)80)37-52-45-18-12-15-21-56(45)77-58-23-17-14-20-47(58)67(65)71(52)77/h12-38H,39H2,1-11H3
InChIKeyKZWJZRVBXTVITR-UHFFFAOYSA-N
MW1031.36 g/mol
LogP20.70
Rot. Bonds3

About 5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene

5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene (PubChem CID 146497068) has the molecular formula C76H62N4 and a molecular weight of 1031.36 g/mol. Its IUPAC name is 5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene.

Molecular Properties

Compound Name5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene
PubChem CID146497068
Molecular FormulaC76H62N4
Molecular Weight1031.36 g/mol
Exact Mass1030.50
IUPAC Name5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5c6cc(C(C)(C)C)ccc6n6c7ccc(C(C)(C)Cc8ccc9c%10c%11c%12ccccc%12n%12c%13ccccc%13c(cc%10n%10c%13ccccc%13c8c9%10)c%11%12)cc7c(cc4n2c13)c56
InChIInChI=1S/C76H62N4/c1-73(2,3)41-25-29-60-49(32-41)51-35-44(75(7,8)9)36-55-66-63(79(60)69(51)55)38-53-50-34-43(27-31-59(50)78-61-30-26-42(74(4,5)6)33-54(61)68(66)72(53)78)76(10,11)39-40-24-28-48-65-62(80-57-22-16-13-19-46(57)64(40)70(48)80)37-52-45-18-12-15-21-56(45)77-58-23-17-14-20-47(58)67(65)71(52)77/h12-38H,39H2,1-11H3
InChIKeyKZWJZRVBXTVITR-UHFFFAOYSA-N
XLogP20.70
TPSA17.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.36
LogP ≤ 520.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene with MolForge

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Related Compounds

5,10-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 102489233
20,28-ditert-butyl-N-(20,28-ditert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18(23),19,21,25(30),26,28-pentadecaen-6-yl)-N-phenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18(23),19,21,25(30),26,28-pentadecaen-6-amine
CID 167105184
14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8,10,12,16,18,20,22,25,27,29-pentadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;5,10,20,28-tetratert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene
CID 161150180
6-tert-butyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene
CID 176726906
10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine
CID 167105305
3,22-diazadodecacyclo[18.18.2.13,10.122,29.02,15.04,9.017,39.021,34.023,28.036,40.014,42.033,41]dotetraconta-1(39),2(15),4,6,8,10(42),11,13,16,18,20(40),21(34),23,25,27,29(41),30,32,35,37-icosaene;14,33-diazadodecacyclo[18.18.2.13,7.122,26.02,15.08,13.017,39.021,34.027,32.036,40.014,42.033,41]dotetraconta-1(39),2(15),3,5,7(42),8,10,12,16,18,20(40),21(34),22,24,26(41),27,29,31,35,37-icosaene;1,8-diazadodecacyclo[30.10.1.18,15.02,31.04,29.05,22.07,20.09,14.023,28.036,43.037,42.019,44]tetratetraconta-2(31),3,5,7(20),9,11,13,15(44),16,18,21,23,25,27,29,32,34,36(43),37,39,41-henicosaene;23,32-diazadodecacyclo[30.10.1.112,16.02,31.03,28.04,9.010,27.011,24.017,22.033,38.039,43.023,44]tetratetraconta-1(42),2(31),3(28),4,6,8,10(27),11(24),12,14,16(44),17,19,21,25,29,33,35,37,39(43),40-henicosaene;1,8-diazaundecacyclo[26.10.1.18,15.02,27.04,25.05,22.07,20.09,14.032,39.033,38.019,40]tetraconta-2(27),3,5,7(20),9,11,13,15(40),16,18,21,23,25,28,30,32(39),33,35,37-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.04,25.05,22.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3,5,7(20),8,10,12(40),13,15,17,21,23,25,29,31,33,35(39),36-nonadecaene;9,14,24,29-tetratert-butyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene
CID 160609759
6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 167218314
N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14,24,29-tritert-butyl-N-(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine
CID 166584284
9,24-ditert-butyl-13,28-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene
CID 155399071
23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 122594993
5,24-bis(4-tert-butylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10,12,14,16(40),17,19,21,23,26,29,31,33,35(39),36-nonadecaene;13,28-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,18,32,37-tetratert-butyl-5,24-bis(4-tert-butylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetratert-butyl-5,24-dinaphthalen-2-yl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetratert-butyl-5,24-diphenyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene
CID 158172621
6,11,18,23-tetratert-butyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,18,21(25),22-dodecaene
CID 171595251

Frequently Asked Questions

What is the IUPAC name of 5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene?
The IUPAC name of 5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene (CID 146497068) is 5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene.
What is the SMILES notation for 5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene?
The canonical SMILES for 5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5c6cc(C(C)(C)C)ccc6n6c7ccc(C(C)(C)Cc8ccc9c%10c%11c%12ccccc%12n%12c%13ccccc%13c(cc%10n%10c%13ccccc%13c8c9%10)c%11%12)cc7c(cc4n2c13)c56.
What is the InChIKey of 5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene?
The InChIKey is KZWJZRVBXTVITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H62N4/c1-73(2,3)41-25-29-60-49(32-41)51-35-44(75(7,8)9)36-55-66-63(79(60)69(51)55)38-53-50-34-43(27-31-59(50)78-61-30-26-42(74(4,5)6)33-54(61)68(66)72(53)78)76(10,11)39-40-24-28-48-65-62(80-57-22-16-13-19-46(57)64(40)70(48)80)37-52-45-18-12-15-21-56(45)77-58-23-17-14-20-47(58)67(65)71(52)77/h12-38H,39H2,1-11H3.
What are the key properties of 5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene?
5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene has a molecular weight of 1031.36 g/mol, XLogP of 20.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,28-tritert-butyl-20-[1-(14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18,20,22,25,27,29-pentadecaen-6-yl)-2-methylpropan-2-yl]-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene is sourced from PubChem (CID 146497068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).