15,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(34),26,28,30,32,35(39),36-nonadecaene

C82H58N4 — CID 169056007

About 15,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(34),26,28,30,32,35(39),36-nonadecaene

15,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(34),26,28,30,32,35(39),36-nonadecaene (PubChem CID 169056007) has the molecular formula C82H58N4 and a molecular weight of 1099.39 g/mol. Its IUPAC name is 15,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(34),26,28,30,32,35(39),36-nonadecaene.

Molecular Properties

• Compound Name: 15,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(34),26,28,30,32,35(39),36-nonadecaene
• PubChem CID: 169056007
• Molecular Formula: C82H58N4
• Molecular Weight: 1099.39 g/mol
• Exact Mass: 1098.47
• IUPAC Name: 15,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(34),26,28,30,32,35(39),36-nonadecaene
• SMILES: CC(C)(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)c1cc3ccccc3c3c4c5c6cc(C(C)(C)C)cc7c8c9ccccc9cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n(c5ccc4n2c13)c67
• InChI: InChI=1S/C82H58N4/c1-81(2,3)51-43-60(50-34-36-70-62(41-50)58-30-18-20-32-68(58)84(70)54-25-11-8-12-26-54)77-64(44-51)63-42-48-22-14-16-28-56(48)75-76-72(86(77)80(63)75)38-37-71-74(76)66-46-52(82(4,5)6)45-65-73-55-27-15-13-21-47(55)39-59(79(73)85(71)78(65)66)49-33-35-69-61(40-49)57-29-17-19-31-67(57)83(69)53-23-9-7-10-24-53/h7-46H,1-6H3
• InChIKey: MRIKBVLVZPCKMJ-UHFFFAOYSA-N
• XLogP: 22.42
• TPSA: 18.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1099.39
LogP ≤ 5	22.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 15,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(34),26,28,30,32,35(39),36-nonadecaene?

The IUPAC name of 15,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(34),26,28,30,32,35(39),36-nonadecaene (CID 169056007) is 15,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(34),26,28,30,32,35(39),36-nonadecaene.

What is the SMILES notation for 15,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(34),26,28,30,32,35(39),36-nonadecaene?

The canonical SMILES for 15,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(34),26,28,30,32,35(39),36-nonadecaene is CC(C)(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)c1cc3ccccc3c3c4c5c6cc(C(C)(C)C)cc7c8c9ccccc9cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n(c5ccc4n2c13)c67.

What is the InChIKey of 15,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(34),26,28,30,32,35(39),36-nonadecaene?

The InChIKey is MRIKBVLVZPCKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H58N4/c1-81(2,3)51-43-60(50-34-36-70-62(41-50)58-30-18-20-32-68(58)84(70)54-25-11-8-12-26-54)77-64(44-51)63-42-48-22-14-16-28-56(48)75-76-72(86(77)80(63)75)38-37-71-74(76)66-46-52(82(4,5)6)45-65-73-55-27-15-13-21-47(55)39-59(79(73)85(71)78(65)66)49-33-35-69-61(40-49)57-29-17-19-31-67(57)83(69)53-23-9-7-10-24-53/h7-46H,1-6H3.

What are the key properties of 15,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(34),26,28,30,32,35(39),36-nonadecaene?

15,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(34),26,28,30,32,35(39),36-nonadecaene has a molecular weight of 1099.39 g/mol, XLogP of 22.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(34),26,28,30,32,35(39),36-nonadecaene is sourced from PubChem (CID 169056007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).