11,26-bis(3,5-ditert-butylphenyl)-5,20-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(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene

C70H62F2N2 — CID 164809414

About 11,26-bis(3,5-ditert-butylphenyl)-5,20-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(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)-5,20-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(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene (PubChem CID 164809414) 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)-5,20-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(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)-5,20-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(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene
• PubChem CID: 164809414
• Molecular Formula: C70H62F2N2
• Molecular Weight: 969.28 g/mol
• Exact Mass: 968.49
• IUPAC Name: 11,26-bis(3,5-ditert-butylphenyl)-5,20-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(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(-c2cccc3c4c5c6cc(-c7ccc(F)cc7)ccc6n6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7c(c7c8cc(-c9ccc(F)cc9)ccc8n(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)51-15-13-17-53-59-61-56-36-42(40-21-27-50(72)28-22-40)24-30-58(56)74-64-52(44-33-47(69(7,8)9)38-48(34-44)70(10,11)12)16-14-18-54(64)60(66(61)74)62-55-35-41(39-19-25-49(71)26-20-39)23-29-57(55)73(63(51)53)65(59)62/h13-38H,1-12H3
• InChIKey: MMUIVRQAFSUJDV-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)-5,20-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(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)-5,20-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(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene (CID 164809414) is 11,26-bis(3,5-ditert-butylphenyl)-5,20-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(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)-5,20-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(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)-5,20-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(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(-c2cccc3c4c5c6cc(-c7ccc(F)cc7)ccc6n6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7c(c7c8cc(-c9ccc(F)cc9)ccc8n(c23)c74)c56)cc(C(C)(C)C)c1.

What is the InChIKey of 11,26-bis(3,5-ditert-butylphenyl)-5,20-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(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene?

The InChIKey is MMUIVRQAFSUJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H62F2N2/c1-67(2,3)45-31-43(32-46(37-45)68(4,5)6)51-15-13-17-53-59-61-56-36-42(40-21-27-50(72)28-22-40)24-30-58(56)74-64-52(44-33-47(69(7,8)9)38-48(34-44)70(10,11)12)16-14-18-54(64)60(66(61)74)62-55-35-41(39-19-25-49(71)26-20-39)23-29-57(55)73(63(51)53)65(59)62/h13-38H,1-12H3.

What are the key properties of 11,26-bis(3,5-ditert-butylphenyl)-5,20-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(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)-5,20-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(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 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)-5,20-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(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 164809414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).