18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene

C54H42N4 — CID 162480356

IUPAC18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene
SMILESCC(C)(C)c1cc2c3c4ccccc4n(-c4ccccc4)c3cc3c4cc5c(cc4n1c32)c1cc2c(c3ccccc3n2-c2ccccc2)c2cc(C(C)(C)C)n5c12
InChIInChI=1S/C54H42N4/c1-53(2,3)47-29-39-49-33-21-13-15-23-41(33)55(31-17-9-7-10-18-31)45(49)27-37-35-26-44-36(25-43(35)57(47)51(37)39)38-28-46-50(40-30-48(54(4,5)6)58(44)52(38)40)34-22-14-16-24-42(34)56(46)32-19-11-8-12-20-32/h7-30H,1-6H3
InChIKeyFUFCUKJPYDULHA-UHFFFAOYSA-N
MW746.96 g/mol
LogP14.47
Rot. Bonds2

About 18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene

18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene (PubChem CID 162480356) has the molecular formula C54H42N4 and a molecular weight of 746.96 g/mol. Its IUPAC name is 18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene.

Molecular Properties

Compound Name18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene
PubChem CID162480356
Molecular FormulaC54H42N4
Molecular Weight746.96 g/mol
Exact Mass746.34
IUPAC Name18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene
SMILESCC(C)(C)c1cc2c3c4ccccc4n(-c4ccccc4)c3cc3c4cc5c(cc4n1c32)c1cc2c(c3ccccc3n2-c2ccccc2)c2cc(C(C)(C)C)n5c12
InChIInChI=1S/C54H42N4/c1-53(2,3)47-29-39-49-33-21-13-15-23-41(33)55(31-17-9-7-10-18-31)45(49)27-37-35-26-44-36(25-43(35)57(47)51(37)39)38-28-46-50(40-30-48(54(4,5)6)58(44)52(38)40)34-22-14-16-24-42(34)56(46)32-19-11-8-12-20-32/h7-30H,1-6H3
InChIKeyFUFCUKJPYDULHA-UHFFFAOYSA-N
XLogP14.47
TPSA18.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.96
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene with MolForge

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Related Compounds

12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole
CID 146579181
18,24-ditert-butyl-13,29-bis(4-tert-butylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene
CID 162480455
31-phenyl-5,20,31-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.024,32.025,30.016,35]pentatriaconta-1(33),2(19),3,6,8,10,12(35),13,15,17,21,23(34),24(32),25,27,29-hexadecaene
CID 162480380
18,24-ditert-butyl-13,29-bis(4-methylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene
CID 162480463
5-(4-tert-butylphenyl)-7-phenylbenzo[c]carbazole
CID 70836954
9-phenyl-31-[3-[3-(42-phenyl-5,20,27,42-tetrazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.014,19.028,33.034,45.035,43.036,41.023,46]hexatetraconta-1(44),2,4(24),6,8,10,12(46),13(21),14,16,18,22,25,28,30,32,34(45),35(43),36,38,40-henicosaen-20-yl)phenyl]phenyl]-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene
CID 167304313
10-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118186364
9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489582
14-phenyl-5,14,27,41-tetrazapentadecacyclo[25.22.1.15,19.130,34.02,26.04,24.06,18.07,15.08,13.028,45.029,42.035,40.046,50.023,52.041,51]dopentaconta-1(49),2,4(24),6(18),7(15),8,10,12,16,19(52),20,22,25,28(45),29(42),30,32,34(51),35,37,39,43,46(50),47-tetracosaene
CID 155308708
9,15-diphenyl-9,15,26,30-tetrazatridecacyclo[24.18.1.130,37.02,10.03,8.012,45.013,25.014,22.016,21.027,44.029,42.031,36.041,46]hexatetraconta-1(45),2(10),3,5,7,11,13(25),14(22),16,18,20,23,27(44),28,31,33,35,37(46),38,40,42-henicosaene;12,23-diphenyl-1,12,23,41-tetrazatridecacyclo[24.18.1.130,34.02,14.05,13.06,11.015,45.016,24.017,22.027,44.029,42.035,40.041,46]hexatetraconta-2(14),3,5(13),6,8,10,15(45),16(24),17,19,21,25,27(44),28,30,32,34(46),35,37,39,42-henicosaene;13,38-diphenyl-13,23,27,38-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(45),2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,28(40),29,31(39),32,34,36,41,43-henicosaene;16,30-diphenyl-1,5,16,30-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.029,37.031,36.038,45.039,44.023,46]hexatetraconta-2(26),3,6(18),7,9(17),10,12,14,19,21,23(46),24,27,29(37),31,33,35,38(45),39,41,43-henicosaene;16,34-diphenyl-1,5,16,34-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.031,45.032,44.033,41.035,40.023,46]hexatetraconta-2(26),3,6(18),7,9(17),10,12,14,19,21,23(46),24,27(45),28,30,32(44),33(41),35,37,39,42-henicosaene
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11-phenyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
CID 118186719
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314

Frequently Asked Questions

What is the IUPAC name of 18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene?
The IUPAC name of 18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene (CID 162480356) is 18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene.
What is the SMILES notation for 18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene?
The canonical SMILES for 18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene is CC(C)(C)c1cc2c3c4ccccc4n(-c4ccccc4)c3cc3c4cc5c(cc4n1c32)c1cc2c(c3ccccc3n2-c2ccccc2)c2cc(C(C)(C)C)n5c12.
What is the InChIKey of 18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene?
The InChIKey is FUFCUKJPYDULHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N4/c1-53(2,3)47-29-39-49-33-21-13-15-23-41(33)55(31-17-9-7-10-18-31)45(49)27-37-35-26-44-36(25-43(35)57(47)51(37)39)38-28-46-50(40-30-48(54(4,5)6)58(44)52(38)40)34-22-14-16-24-42(34)56(46)32-19-11-8-12-20-32/h7-30H,1-6H3.
What are the key properties of 18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene?
18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene has a molecular weight of 746.96 g/mol, XLogP of 14.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene is sourced from PubChem (CID 162480356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).