11,26-bis(3,5-ditert-butylphenyl)-6-(2,4-difluorophenyl)-21-[4-fluoro-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(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene

C71H60F6N2 — CID 164809289

About 11,26-bis(3,5-ditert-butylphenyl)-6-(2,4-difluorophenyl)-21-[4-fluoro-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(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene

11,26-bis(3,5-ditert-butylphenyl)-6-(2,4-difluorophenyl)-21-[4-fluoro-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(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene (PubChem CID 164809289) has the molecular formula C71H60F6N2 and a molecular weight of 1055.26 g/mol. Its IUPAC name is 11,26-bis(3,5-ditert-butylphenyl)-6-(2,4-difluorophenyl)-21-[4-fluoro-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(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: 11,26-bis(3,5-ditert-butylphenyl)-6-(2,4-difluorophenyl)-21-[4-fluoro-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(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene
• PubChem CID: 164809289
• Molecular Formula: C71H60F6N2
• Molecular Weight: 1055.26 g/mol
• Exact Mass: 1054.47
• IUPAC Name: 11,26-bis(3,5-ditert-butylphenyl)-6-(2,4-difluorophenyl)-21-[4-fluoro-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(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)c1cc(-c2cccc3c4c5c6ccc(-c7ccc(F)cc7C(F)(F)F)cc6n6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7c(c7c8ccc(-c9ccc(F)cc9F)cc8n(c23)c74)c56)cc(C(C)(C)C)c1
• InChI: InChI=1S/C71H60F6N2/c1-67(2,3)41-27-39(28-42(33-41)68(4,5)6)49-15-13-17-53-62-60-52-24-20-38(48-26-22-46(73)36-56(48)74)32-58(52)79-64-50(40-29-43(69(7,8)9)34-44(30-40)70(10,11)12)16-14-18-54(64)61(66(60)79)59-51-23-19-37(31-57(51)78(63(49)53)65(59)62)47-25-21-45(72)35-55(47)71(75,76)77/h13-36H,1-12H3
• InChIKey: GTIRNRVHPMKEHX-UHFFFAOYSA-N
• XLogP: 21.28
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1055.26
LogP ≤ 5	21.28
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-(2,4-difluorophenyl)-21-[4-fluoro-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(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 11,26-bis(3,5-ditert-butylphenyl)-6-(2,4-difluorophenyl)-21-[4-fluoro-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(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene (CID 164809289) is 11,26-bis(3,5-ditert-butylphenyl)-6-(2,4-difluorophenyl)-21-[4-fluoro-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(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 11,26-bis(3,5-ditert-butylphenyl)-6-(2,4-difluorophenyl)-21-[4-fluoro-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(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 11,26-bis(3,5-ditert-butylphenyl)-6-(2,4-difluorophenyl)-21-[4-fluoro-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(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)c1cc(-c2cccc3c4c5c6ccc(-c7ccc(F)cc7C(F)(F)F)cc6n6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7c(c7c8ccc(-c9ccc(F)cc9F)cc8n(c23)c74)c56)cc(C(C)(C)C)c1.

What is the InChIKey of 11,26-bis(3,5-ditert-butylphenyl)-6-(2,4-difluorophenyl)-21-[4-fluoro-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(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene?

The InChIKey is GTIRNRVHPMKEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H60F6N2/c1-67(2,3)41-27-39(28-42(33-41)68(4,5)6)49-15-13-17-53-62-60-52-24-20-38(48-26-22-46(73)36-56(48)74)32-58(52)79-64-50(40-29-43(69(7,8)9)34-44(30-40)70(10,11)12)16-14-18-54(64)61(66(60)79)59-51-23-19-37(31-57(51)78(63(49)53)65(59)62)47-25-21-45(72)35-55(47)71(75,76)77/h13-36H,1-12H3.

What are the key properties of 11,26-bis(3,5-ditert-butylphenyl)-6-(2,4-difluorophenyl)-21-[4-fluoro-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(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene?

11,26-bis(3,5-ditert-butylphenyl)-6-(2,4-difluorophenyl)-21-[4-fluoro-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(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 1055.26 g/mol, XLogP of 21.28, 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-(2,4-difluorophenyl)-21-[4-fluoro-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(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 164809289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).