12,27-ditert-butyl-5,20-bis(2,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene

C66H72N2 — CID 164809372

About 12,27-ditert-butyl-5,20-bis(2,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene

12,27-ditert-butyl-5,20-bis(2,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene (PubChem CID 164809372) has the molecular formula C66H72N2 and a molecular weight of 893.32 g/mol. Its IUPAC name is 12,27-ditert-butyl-5,20-bis(2,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene.

Molecular Properties

• Compound Name: 12,27-ditert-butyl-5,20-bis(2,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene
• PubChem CID: 164809372
• Molecular Formula: C66H72N2
• Molecular Weight: 893.32 g/mol
• Exact Mass: 892.57
• IUPAC Name: 12,27-ditert-butyl-5,20-bis(2,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene
• SMILES: CC(C)(C)c1ccc(C(C)(C)C)c(-c2ccc3c(c2)c2c4c5ccc(C(C)(C)C)cc5n5c6ccc(-c7cc(C(C)(C)C)ccc7C(C)(C)C)cc6c(c6c7ccc(C(C)(C)C)cc7n3c26)c45)c1
• InChI: InChI=1S/C66H72N2/c1-61(2,3)39-23-27-49(65(13,14)15)45(33-39)37-19-29-51-47(31-37)57-55-43-25-21-42(64(10,11)12)36-54(43)68-52-30-20-38(46-34-40(62(4,5)6)24-28-50(46)66(16,17)18)32-48(52)58(60(55)68)56-44-26-22-41(63(7,8)9)35-53(44)67(51)59(56)57/h19-36H,1-18H3
• InChIKey: CVCUZQYXJCUFLJ-UHFFFAOYSA-N
• XLogP: 19.11
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.32
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 12,27-ditert-butyl-5,20-bis(2,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene?

The IUPAC name of 12,27-ditert-butyl-5,20-bis(2,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene (CID 164809372) is 12,27-ditert-butyl-5,20-bis(2,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene.

What is the SMILES notation for 12,27-ditert-butyl-5,20-bis(2,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene?

The canonical SMILES for 12,27-ditert-butyl-5,20-bis(2,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene is CC(C)(C)c1ccc(C(C)(C)C)c(-c2ccc3c(c2)c2c4c5ccc(C(C)(C)C)cc5n5c6ccc(-c7cc(C(C)(C)C)ccc7C(C)(C)C)cc6c(c6c7ccc(C(C)(C)C)cc7n3c26)c45)c1.

What is the InChIKey of 12,27-ditert-butyl-5,20-bis(2,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene?

The InChIKey is CVCUZQYXJCUFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H72N2/c1-61(2,3)39-23-27-49(65(13,14)15)45(33-39)37-19-29-51-47(31-37)57-55-43-25-21-42(64(10,11)12)36-54(43)68-52-30-20-38(46-34-40(62(4,5)6)24-28-50(46)66(16,17)18)32-48(52)58(60(55)68)56-44-26-22-41(63(7,8)9)35-53(44)67(51)59(56)57/h19-36H,1-18H3.

What are the key properties of 12,27-ditert-butyl-5,20-bis(2,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene?

12,27-ditert-butyl-5,20-bis(2,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene has a molecular weight of 893.32 g/mol, XLogP of 19.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 12,27-ditert-butyl-5,20-bis(2,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene is sourced from PubChem (CID 164809372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).