9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene

C60H50N4 — CID 162480423

IUPAC9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene
SMILESCC(C)(C)c1ccc2c(c1)c1c3c4cc5c6c7c8cc(C(C)(C)C)ccc8n(-c8ccccc8)c7cc7c8c(n(c5cc4n4c5c(c(cc1n2-c1ccccc1)c34)CCC5)c76)CCC8
InChIInChI=1S/C60H50N4/c1-59(2,3)33-23-25-47-41(27-33)53-51(61(47)35-15-9-7-10-16-35)30-39-37-19-13-21-45(37)63-49-32-50-44(29-43(49)55(53)57(39)63)56-54-42-28-34(60(4,5)6)24-26-48(42)62(36-17-11-8-12-18-36)52(54)31-40-38-20-14-22-46(38)64(50)58(40)56/h7-12,15-18,23-32H,13-14,19-22H2,1-6H3
InChIKeyRJZIAARUIIVCPZ-UHFFFAOYSA-N
MW827.09 g/mol
LogP15.45
Rot. Bonds2

About 9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene

9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene (PubChem CID 162480423) has the molecular formula C60H50N4 and a molecular weight of 827.09 g/mol. Its IUPAC name is 9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene.

Molecular Properties

Compound Name9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene
PubChem CID162480423
Molecular FormulaC60H50N4
Molecular Weight827.09 g/mol
Exact Mass826.40
IUPAC Name9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene
SMILESCC(C)(C)c1ccc2c(c1)c1c3c4cc5c6c7c8cc(C(C)(C)C)ccc8n(-c8ccccc8)c7cc7c8c(n(c5cc4n4c5c(c(cc1n2-c1ccccc1)c34)CCC5)c76)CCC8
InChIInChI=1S/C60H50N4/c1-59(2,3)33-23-25-47-41(27-33)53-51(61(47)35-15-9-7-10-16-35)30-39-37-19-13-21-45(37)63-49-32-50-44(29-43(49)55(53)57(39)63)56-54-42-28-34(60(4,5)6)24-26-48(42)62(36-17-11-8-12-18-36)52(54)31-40-38-20-14-22-46(38)64(50)58(40)56/h7-12,15-18,23-32H,13-14,19-22H2,1-6H3
InChIKeyRJZIAARUIIVCPZ-UHFFFAOYSA-N
XLogP15.45
TPSA18.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.09
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene with MolForge

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Related Compounds

9,33-ditert-butyl-13,17,25,29-tetraphenyl-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(12),8,10,15,17,20,24,26,28(36),30(35),31,33-heptadecaene
CID 162480371
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
9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489582
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole
CID 161415057
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
CID 163902636
2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489622
9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(30),22,24,26,28,31,33,35,37-nonadecaene
CID 169056763
9-(3-tert-butylcarbazol-9-yl)-31-(3,6-ditert-butylcarbazol-9-yl)-14,36-dithia-5,27-diazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.015,20.028,33.034,45.035,43.037,42.023,46]hexatetraconta-1(45),2(26),3,6(11),7,9,12,15,17,19,21,23(46),24,28(33),29,31,34,37,39,41,43-henicosaene
CID 169289746
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
9-[2-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824399
6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene
CID 169055842

Frequently Asked Questions

What is the IUPAC name of 9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene?
The IUPAC name of 9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene (CID 162480423) is 9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene.
What is the SMILES notation for 9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene?
The canonical SMILES for 9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene is CC(C)(C)c1ccc2c(c1)c1c3c4cc5c6c7c8cc(C(C)(C)C)ccc8n(-c8ccccc8)c7cc7c8c(n(c5cc4n4c5c(c(cc1n2-c1ccccc1)c34)CCC5)c76)CCC8.
What is the InChIKey of 9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene?
The InChIKey is RJZIAARUIIVCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50N4/c1-59(2,3)33-23-25-47-41(27-33)53-51(61(47)35-15-9-7-10-16-35)30-39-37-19-13-21-45(37)63-49-32-50-44(29-43(49)55(53)57(39)63)56-54-42-28-34(60(4,5)6)24-26-48(42)62(36-17-11-8-12-18-36)52(54)31-40-38-20-14-22-46(38)64(50)58(40)56/h7-12,15-18,23-32H,13-14,19-22H2,1-6H3.
What are the key properties of 9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene?
9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene has a molecular weight of 827.09 g/mol, XLogP of 15.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene is sourced from PubChem (CID 162480423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).