11,26-bis(3,5-ditert-butylphenyl)-6,21-bis(4-fluorophenyl)-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

C70H62F2N2 — CID 164809563

About 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis(4-fluorophenyl)-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(4-fluorophenyl)-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 164809563) has the molecular formula C70H62F2N2 and a molecular weight of 969.28 g/mol. Its IUPAC name is 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis(4-fluorophenyl)-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(4-fluorophenyl)-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: 164809563
• Molecular Formula: C70H62F2N2
• Molecular Weight: 969.28 g/mol
• Exact Mass: 968.49
• IUPAC Name: 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis(4-fluorophenyl)-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(-c7ccc(F)cc7)cc6n6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7c(c7c8ccc(-c9ccc(F)cc9)cc8n(c23)c74)c56)cc(C(C)(C)C)c1
• InChI: InChI=1S/C70H62F2N2/c1-67(2,3)45-31-43(32-46(37-45)68(4,5)6)51-15-13-17-55-61-59-54-30-24-42(40-21-27-50(72)28-22-40)36-58(54)74-64-52(44-33-47(69(7,8)9)38-48(34-44)70(10,11)12)16-14-18-56(64)62(66(59)74)60-53-29-23-41(39-19-25-49(71)26-20-39)35-57(53)73(63(51)55)65(60)61/h13-38H,1-12H3
• InChIKey: SMPUZCLLMDLIGE-UHFFFAOYSA-N
• XLogP: 20.12
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.28
LogP ≤ 5	20.12
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(4-fluorophenyl)-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(4-fluorophenyl)-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 164809563) is 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis(4-fluorophenyl)-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(4-fluorophenyl)-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(4-fluorophenyl)-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(-c7ccc(F)cc7)cc6n6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7c(c7c8ccc(-c9ccc(F)cc9)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(4-fluorophenyl)-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 SMPUZCLLMDLIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H62F2N2/c1-67(2,3)45-31-43(32-46(37-45)68(4,5)6)51-15-13-17-55-61-59-54-30-24-42(40-21-27-50(72)28-22-40)36-58(54)74-64-52(44-33-47(69(7,8)9)38-48(34-44)70(10,11)12)16-14-18-56(64)62(66(59)74)60-53-29-23-41(39-19-25-49(71)26-20-39)35-57(53)73(63(51)55)65(60)61/h13-38H,1-12H3.

What are the key properties of 11,26-bis(3,5-ditert-butylphenyl)-6,21-bis(4-fluorophenyl)-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(4-fluorophenyl)-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 969.28 g/mol, XLogP of 20.12, 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(4-fluorophenyl)-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 164809563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).