9,14,33-tritert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27,29,31(35),32-heptadecaene

C81H63N5 — CID 169056255

About 9,14,33-tritert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27,29,31(35),32-heptadecaene

9,14,33-tritert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27,29,31(35),32-heptadecaene (PubChem CID 169056255) has the molecular formula C81H63N5 and a molecular weight of 1106.43 g/mol. Its IUPAC name is 9,14,33-tritert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27,29,31(35),32-heptadecaene.

Molecular Properties

• Compound Name: 9,14,33-tritert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27,29,31(35),32-heptadecaene
• PubChem CID: 169056255
• Molecular Formula: C81H63N5
• Molecular Weight: 1106.43 g/mol
• Exact Mass: 1105.51
• IUPAC Name: 9,14,33-tritert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27,29,31(35),32-heptadecaene
• SMILES: CC(C)(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(nc4n2c31)c1cc(C(C)(C)C)cc2c3cc4ccccc4c(-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)c3n5c21
• InChI: InChI=1S/C81H63N5/c1-79(2,3)49-39-57(47-32-34-69-58(36-47)55-28-18-20-30-67(55)83(69)52-23-12-10-13-24-52)74-62(40-49)63-41-50(80(4,5)6)43-64-65-45-71-73(82-78(65)86(74)75(63)64)66-44-51(81(7,8)9)42-61-60-37-46-22-16-17-27-54(46)72(77(60)85(71)76(61)66)48-33-35-70-59(38-48)56-29-19-21-31-68(56)84(70)53-25-14-11-15-26-53/h10-45H,1-9H3
• InChIKey: NGZFXKOWZFCWII-UHFFFAOYSA-N
• XLogP: 21.96
• 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	1106.43
LogP ≤ 5	21.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9,14,33-tritert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27,29,31(35),32-heptadecaene?

The IUPAC name of 9,14,33-tritert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27,29,31(35),32-heptadecaene (CID 169056255) is 9,14,33-tritert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27,29,31(35),32-heptadecaene.

What is the SMILES notation for 9,14,33-tritert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27,29,31(35),32-heptadecaene?

The canonical SMILES for 9,14,33-tritert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27,29,31(35),32-heptadecaene is CC(C)(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(nc4n2c31)c1cc(C(C)(C)C)cc2c3cc4ccccc4c(-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)c3n5c21.

What is the InChIKey of 9,14,33-tritert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27,29,31(35),32-heptadecaene?

The InChIKey is NGZFXKOWZFCWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H63N5/c1-79(2,3)49-39-57(47-32-34-69-58(36-47)55-28-18-20-30-67(55)83(69)52-23-12-10-13-24-52)74-62(40-49)63-41-50(80(4,5)6)43-64-65-45-71-73(82-78(65)86(74)75(63)64)66-44-51(81(7,8)9)42-61-60-37-46-22-16-17-27-54(46)72(77(60)85(71)76(61)66)48-33-35-70-59(38-48)56-29-19-21-31-68(56)84(70)53-25-14-11-15-26-53/h10-45H,1-9H3.

What are the key properties of 9,14,33-tritert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27,29,31(35),32-heptadecaene?

9,14,33-tritert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27,29,31(35),32-heptadecaene has a molecular weight of 1106.43 g/mol, XLogP of 21.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9,14,33-tritert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27,29,31(35),32-heptadecaene is sourced from PubChem (CID 169056255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).