11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[2-(trifluoromethyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene

C72H62F6N2 — CID 164809484

About 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[2-(trifluoromethyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene

11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[2-(trifluoromethyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene (PubChem CID 164809484) has the molecular formula C72H62F6N2 and a molecular weight of 1069.29 g/mol. Its IUPAC name is 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[2-(trifluoromethyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene.

Molecular Properties

• Compound Name: 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[2-(trifluoromethyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene
• PubChem CID: 164809484
• Molecular Formula: C72H62F6N2
• Molecular Weight: 1069.29 g/mol
• Exact Mass: 1068.48
• IUPAC Name: 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[2-(trifluoromethyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene
• SMILES: CC(C)(C)c1cc(-c2cccc3c4c5c6ccc(-c7ccccc7C(F)(F)F)cc6n6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7c(c7c8ccc(-c9ccccc9C(F)(F)F)cc8n(c23)c74)c56)cc(C(C)(C)C)c1
• InChI: InChI=1S/C72H62F6N2/c1-67(2,3)43-31-41(32-44(37-43)68(4,5)6)49-21-17-23-53-61-59-52-30-28-40(48-20-14-16-26-56(48)72(76,77)78)36-58(52)80-64-50(42-33-45(69(7,8)9)38-46(34-42)70(10,11)12)22-18-24-54(64)62(66(59)80)60-51-29-27-39(35-57(51)79(63(49)53)65(60)61)47-19-13-15-25-55(47)71(73,74)75/h13-38H,1-12H3
• InChIKey: MTNFUVXDNXKWNS-UHFFFAOYSA-N
• XLogP: 21.88
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1069.29
LogP ≤ 5	21.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[2-(trifluoromethyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene?

The IUPAC name of 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[2-(trifluoromethyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene (CID 164809484) is 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[2-(trifluoromethyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene.

What is the SMILES notation for 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[2-(trifluoromethyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene?

The canonical SMILES for 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[2-(trifluoromethyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene is CC(C)(C)c1cc(-c2cccc3c4c5c6ccc(-c7ccccc7C(F)(F)F)cc6n6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7c(c7c8ccc(-c9ccccc9C(F)(F)F)cc8n(c23)c74)c56)cc(C(C)(C)C)c1.

What is the InChIKey of 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[2-(trifluoromethyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene?

The InChIKey is MTNFUVXDNXKWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H62F6N2/c1-67(2,3)43-31-41(32-44(37-43)68(4,5)6)49-21-17-23-53-61-59-52-30-28-40(48-20-14-16-26-56(48)72(76,77)78)36-58(52)80-64-50(42-33-45(69(7,8)9)38-46(34-42)70(10,11)12)22-18-24-54(64)62(66(59)80)60-51-29-27-39(35-57(51)79(63(49)53)65(60)61)47-19-13-15-25-55(47)71(73,74)75/h13-38H,1-12H3.

What are the key properties of 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[2-(trifluoromethyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene?

11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[2-(trifluoromethyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene has a molecular weight of 1069.29 g/mol, XLogP of 21.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[2-(trifluoromethyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene is sourced from PubChem (CID 164809484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).