11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[5-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-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene

C72H60F8N2 — CID 164809540

About 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[5-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-1,3(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[5-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-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene (PubChem CID 164809540) has the molecular formula C72H60F8N2 and a molecular weight of 1105.27 g/mol. Its IUPAC name is 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[5-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-1,3(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[5-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-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene
• PubChem CID: 164809540
• Molecular Formula: C72H60F8N2
• Molecular Weight: 1105.27 g/mol
• Exact Mass: 1104.46
• IUPAC Name: 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[5-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-1,3(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(-c7cc(F)ccc7C(F)(F)F)cc6n6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7c(c7c8ccc(-c9cc(F)ccc9C(F)(F)F)cc8n(c23)c74)c56)cc(C(C)(C)C)c1
• InChI: InChI=1S/C72H60F8N2/c1-67(2,3)41-27-39(28-42(33-41)68(4,5)6)47-15-13-17-51-61-59-50-24-20-38(54-36-46(74)22-26-56(54)72(78,79)80)32-58(50)82-64-48(40-29-43(69(7,8)9)34-44(30-40)70(10,11)12)16-14-18-52(64)62(66(59)82)60-49-23-19-37(31-57(49)81(63(47)51)65(60)61)53-35-45(73)21-25-55(53)71(75,76)77/h13-36H,1-12H3
• InChIKey: ABOMQNVIOVKAIJ-UHFFFAOYSA-N
• XLogP: 22.16
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1105.27
LogP ≤ 5	22.16
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[5-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-1,3(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[5-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-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene (CID 164809540) is 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[5-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-1,3(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[5-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-1,3(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[5-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-1,3(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(-c7cc(F)ccc7C(F)(F)F)cc6n6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7c(c7c8ccc(-c9cc(F)ccc9C(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[5-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-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene?

The InChIKey is ABOMQNVIOVKAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H60F8N2/c1-67(2,3)41-27-39(28-42(33-41)68(4,5)6)47-15-13-17-51-61-59-50-24-20-38(54-36-46(74)22-26-56(54)72(78,79)80)32-58(50)82-64-48(40-29-43(69(7,8)9)34-44(30-40)70(10,11)12)16-14-18-52(64)62(66(59)82)60-49-23-19-37(31-57(49)81(63(47)51)65(60)61)53-35-45(73)21-25-55(53)71(75,76)77/h13-36H,1-12H3.

What are the key properties of 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis[5-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-1,3(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[5-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-1,3(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 1105.27 g/mol, XLogP of 22.16, 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[5-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-1,3(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 164809540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).