5,12,20,27-tetrakis(trifluoromethyl)-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

C34H12F12N2 — CID 167153486

About 5,12,20,27-tetrakis(trifluoromethyl)-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

5,12,20,27-tetrakis(trifluoromethyl)-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 167153486) has the molecular formula C34H12F12N2 and a molecular weight of 676.46 g/mol. Its IUPAC name is 5,12,20,27-tetrakis(trifluoromethyl)-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: 5,12,20,27-tetrakis(trifluoromethyl)-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: 167153486
• Molecular Formula: C34H12F12N2
• Molecular Weight: 676.46 g/mol
• Exact Mass: 676.08
• IUPAC Name: 5,12,20,27-tetrakis(trifluoromethyl)-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: FC(F)(F)c1ccc2c(c1)c1c3c4ccc(C(F)(F)F)cc4n4c5ccc(C(F)(F)F)cc5c(c5c6ccc(C(F)(F)F)cc6n2c15)c34
• InChI: InChI=1S/C34H12F12N2/c35-31(36,37)13-4-8-22-19(9-13)27-25-17-5-1-15(33(41,42)43)11-23(17)47-21-7-3-14(32(38,39)40)10-20(21)28(29(25)47)26-18-6-2-16(34(44,45)46)12-24(18)48(22)30(26)27/h1-12H
• InChIKey: SLCJWRWTBUDJDO-UHFFFAOYSA-N
• XLogP: 12.06
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.46
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5,12,20,27-tetrakis(trifluoromethyl)-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 5,12,20,27-tetrakis(trifluoromethyl)-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 167153486) is 5,12,20,27-tetrakis(trifluoromethyl)-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 5,12,20,27-tetrakis(trifluoromethyl)-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 5,12,20,27-tetrakis(trifluoromethyl)-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 FC(F)(F)c1ccc2c(c1)c1c3c4ccc(C(F)(F)F)cc4n4c5ccc(C(F)(F)F)cc5c(c5c6ccc(C(F)(F)F)cc6n2c15)c34.

What is the InChIKey of 5,12,20,27-tetrakis(trifluoromethyl)-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 SLCJWRWTBUDJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H12F12N2/c35-31(36,37)13-4-8-22-19(9-13)27-25-17-5-1-15(33(41,42)43)11-23(17)47-21-7-3-14(32(38,39)40)10-20(21)28(29(25)47)26-18-6-2-16(34(44,45)46)12-24(18)48(22)30(26)27/h1-12H.

What are the key properties of 5,12,20,27-tetrakis(trifluoromethyl)-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?

5,12,20,27-tetrakis(trifluoromethyl)-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 676.46 g/mol, XLogP of 12.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,12,20,27-tetrakis(trifluoromethyl)-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 167153486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).