15,28-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13(18),14,16,20,22,25(30),26,28,31,33,35,37-nonadecaene

C81H57N5 — CID 169056882

About 15,28-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13(18),14,16,20,22,25(30),26,28,31,33,35,37-nonadecaene

15,28-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13(18),14,16,20,22,25(30),26,28,31,33,35,37-nonadecaene (PubChem CID 169056882) has the molecular formula C81H57N5 and a molecular weight of 1100.38 g/mol. Its IUPAC name is 15,28-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13(18),14,16,20,22,25(30),26,28,31,33,35,37-nonadecaene.

Molecular Properties

• Compound Name: 15,28-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13(18),14,16,20,22,25(30),26,28,31,33,35,37-nonadecaene
• PubChem CID: 169056882
• Molecular Formula: C81H57N5
• Molecular Weight: 1100.38 g/mol
• Exact Mass: 1099.46
• IUPAC Name: 15,28-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13(18),14,16,20,22,25(30),26,28,31,33,35,37-nonadecaene
• SMILES: CC(C)(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)c1cc3ccccc3c3c4c5c6c7ccccc7cc7c8cc(C(C)(C)C)cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n(c5ncc4n2c13)c76
• InChI: InChI=1S/C81H57N5/c1-80(2,3)50-41-58(48-33-35-68-60(37-48)56-29-17-19-31-66(56)83(68)52-23-9-7-10-24-52)75-64(43-50)62-39-46-21-13-15-27-54(46)71-73-70(85(75)77(62)71)45-82-79-74(73)72-55-28-16-14-22-47(55)40-63-65-44-51(81(4,5)6)42-59(76(65)86(79)78(63)72)49-34-36-69-61(38-49)57-30-18-20-32-67(57)84(69)53-25-11-8-12-26-53/h7-45H,1-6H3
• InChIKey: LWTOPUVBZJDNMC-UHFFFAOYSA-N
• XLogP: 21.81
• TPSA: 31.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1100.38
LogP ≤ 5	21.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 15,28-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13(18),14,16,20,22,25(30),26,28,31,33,35,37-nonadecaene?

The IUPAC name of 15,28-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13(18),14,16,20,22,25(30),26,28,31,33,35,37-nonadecaene (CID 169056882) is 15,28-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13(18),14,16,20,22,25(30),26,28,31,33,35,37-nonadecaene.

What is the SMILES notation for 15,28-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13(18),14,16,20,22,25(30),26,28,31,33,35,37-nonadecaene?

The canonical SMILES for 15,28-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13(18),14,16,20,22,25(30),26,28,31,33,35,37-nonadecaene is CC(C)(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)c1cc3ccccc3c3c4c5c6c7ccccc7cc7c8cc(C(C)(C)C)cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n(c5ncc4n2c13)c76.

What is the InChIKey of 15,28-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13(18),14,16,20,22,25(30),26,28,31,33,35,37-nonadecaene?

The InChIKey is LWTOPUVBZJDNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H57N5/c1-80(2,3)50-41-58(48-33-35-68-60(37-48)56-29-17-19-31-66(56)83(68)52-23-9-7-10-24-52)75-64(43-50)62-39-46-21-13-15-27-54(46)71-73-70(85(75)77(62)71)45-82-79-74(73)72-55-28-16-14-22-47(55)40-63-65-44-51(81(4,5)6)42-59(76(65)86(79)78(63)72)49-34-36-69-61(38-49)57-30-18-20-32-67(57)84(69)53-25-11-8-12-26-53/h7-45H,1-6H3.

What are the key properties of 15,28-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13(18),14,16,20,22,25(30),26,28,31,33,35,37-nonadecaene?

15,28-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13(18),14,16,20,22,25(30),26,28,31,33,35,37-nonadecaene has a molecular weight of 1100.38 g/mol, XLogP of 21.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15,28-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13(18),14,16,20,22,25(30),26,28,31,33,35,37-nonadecaene is sourced from PubChem (CID 169056882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).