6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-heptadecaene

C81H63N5 — CID 169056597

About 6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-heptadecaene

6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-heptadecaene (PubChem CID 169056597) has the molecular formula C81H63N5 and a molecular weight of 1106.43 g/mol. Its IUPAC name is 6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-heptadecaene.

Molecular Properties

• Compound Name: 6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-heptadecaene
• PubChem CID: 169056597
• Molecular Formula: C81H63N5
• Molecular Weight: 1106.43 g/mol
• Exact Mass: 1105.51
• IUPAC Name: 6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-heptadecaene
• SMILES: CC(C)(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4c5c6cc7ccccc7c7c8cc(C(C)(C)C)cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n(c5ncc4n2c13)c67
• InChI: InChI=1S/C81H63N5/c1-79(2,3)49-39-57(47-32-34-68-59(36-47)55-28-18-20-30-66(55)83(68)52-23-12-10-13-24-52)74-61(41-49)62-42-51(81(7,8)9)44-65-72-70(85(74)76(62)65)45-82-78-73(72)63-38-46-22-16-17-27-54(46)71-64-43-50(80(4,5)6)40-58(75(64)86(78)77(63)71)48-33-35-69-60(37-48)56-29-19-21-31-67(56)84(69)53-25-14-11-15-26-53/h10-45H,1-9H3
• InChIKey: MGHARANLNHYTQE-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 6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-heptadecaene?

The IUPAC name of 6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-heptadecaene (CID 169056597) is 6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-heptadecaene.

What is the SMILES notation for 6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-heptadecaene?

The canonical SMILES for 6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-heptadecaene is CC(C)(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4c5c6cc7ccccc7c7c8cc(C(C)(C)C)cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n(c5ncc4n2c13)c67.

What is the InChIKey of 6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-heptadecaene?

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

What are the key properties of 6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-heptadecaene?

6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-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 6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-heptadecaene is sourced from PubChem (CID 169056597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).