3,10,10,12,12,21,28,28,30,30-decafluoro-17,35-bis(trifluoromethyl)-5,8,23,26-tetrazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(36),2(22),3,6,8,13,15(38),16,18,20,24,26,31,33(37),34-pentadecaene

C36H10F16N4 — CID 169156555

About 3,10,10,12,12,21,28,28,30,30-decafluoro-17,35-bis(trifluoromethyl)-5,8,23,26-tetrazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(36),2(22),3,6,8,13,15(38),16,18,20,24,26,31,33(37),34-pentadecaene

3,10,10,12,12,21,28,28,30,30-decafluoro-17,35-bis(trifluoromethyl)-5,8,23,26-tetrazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(36),2(22),3,6,8,13,15(38),16,18,20,24,26,31,33(37),34-pentadecaene (PubChem CID 169156555) has the molecular formula C36H10F16N4 and a molecular weight of 802.47 g/mol. Its IUPAC name is 3,10,10,12,12,21,28,28,30,30-decafluoro-17,35-bis(trifluoromethyl)-5,8,23,26-tetrazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(36),2(22),3,6,8,13,15(38),16,18,20,24,26,31,33(37),34-pentadecaene.

Molecular Properties

• Compound Name: 3,10,10,12,12,21,28,28,30,30-decafluoro-17,35-bis(trifluoromethyl)-5,8,23,26-tetrazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(36),2(22),3,6,8,13,15(38),16,18,20,24,26,31,33(37),34-pentadecaene
• PubChem CID: 169156555
• Molecular Formula: C36H10F16N4
• Molecular Weight: 802.47 g/mol
• Exact Mass: 802.06
• IUPAC Name: 3,10,10,12,12,21,28,28,30,30-decafluoro-17,35-bis(trifluoromethyl)-5,8,23,26-tetrazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(36),2(22),3,6,8,13,15(38),16,18,20,24,26,31,33(37),34-pentadecaene
• SMILES: Fc1c2c3cc(C(F)(F)F)cc4c5c6c(ncc5n(c2c(F)c2c5cc(C(F)(F)F)cc7c8c9c(ncc8n(c12)c75)C(F)(F)CC9(F)F)c43)C(F)(F)CC6(F)F
• InChI: InChI=1S/C36H10F16N4/c37-23-19-13-3-9(35(47,48)49)1-11-17-15(5-53-29-21(17)31(39,40)7-33(29,43)44)55(25(11)13)27(19)24(38)20-14-4-10(36(50,51)52)2-12-18-16(56(26(12)14)28(20)23)6-54-30-22(18)32(41,42)8-34(30,45)46/h1-6H,7-8H2
• InChIKey: FMQDUNAYBZOCOV-UHFFFAOYSA-N
• XLogP: 12.27
• TPSA: 34.60 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.47
LogP ≤ 5	12.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,10,10,12,12,21,28,28,30,30-decafluoro-17,35-bis(trifluoromethyl)-5,8,23,26-tetrazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(36),2(22),3,6,8,13,15(38),16,18,20,24,26,31,33(37),34-pentadecaene?

The IUPAC name of 3,10,10,12,12,21,28,28,30,30-decafluoro-17,35-bis(trifluoromethyl)-5,8,23,26-tetrazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(36),2(22),3,6,8,13,15(38),16,18,20,24,26,31,33(37),34-pentadecaene (CID 169156555) is 3,10,10,12,12,21,28,28,30,30-decafluoro-17,35-bis(trifluoromethyl)-5,8,23,26-tetrazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(36),2(22),3,6,8,13,15(38),16,18,20,24,26,31,33(37),34-pentadecaene.

What is the SMILES notation for 3,10,10,12,12,21,28,28,30,30-decafluoro-17,35-bis(trifluoromethyl)-5,8,23,26-tetrazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(36),2(22),3,6,8,13,15(38),16,18,20,24,26,31,33(37),34-pentadecaene?

The canonical SMILES for 3,10,10,12,12,21,28,28,30,30-decafluoro-17,35-bis(trifluoromethyl)-5,8,23,26-tetrazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(36),2(22),3,6,8,13,15(38),16,18,20,24,26,31,33(37),34-pentadecaene is Fc1c2c3cc(C(F)(F)F)cc4c5c6c(ncc5n(c2c(F)c2c5cc(C(F)(F)F)cc7c8c9c(ncc8n(c12)c75)C(F)(F)CC9(F)F)c43)C(F)(F)CC6(F)F.

What is the InChIKey of 3,10,10,12,12,21,28,28,30,30-decafluoro-17,35-bis(trifluoromethyl)-5,8,23,26-tetrazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(36),2(22),3,6,8,13,15(38),16,18,20,24,26,31,33(37),34-pentadecaene?

The InChIKey is FMQDUNAYBZOCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H10F16N4/c37-23-19-13-3-9(35(47,48)49)1-11-17-15(5-53-29-21(17)31(39,40)7-33(29,43)44)55(25(11)13)27(19)24(38)20-14-4-10(36(50,51)52)2-12-18-16(56(26(12)14)28(20)23)6-54-30-22(18)32(41,42)8-34(30,45)46/h1-6H,7-8H2.

What are the key properties of 3,10,10,12,12,21,28,28,30,30-decafluoro-17,35-bis(trifluoromethyl)-5,8,23,26-tetrazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(36),2(22),3,6,8,13,15(38),16,18,20,24,26,31,33(37),34-pentadecaene?

3,10,10,12,12,21,28,28,30,30-decafluoro-17,35-bis(trifluoromethyl)-5,8,23,26-tetrazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(36),2(22),3,6,8,13,15(38),16,18,20,24,26,31,33(37),34-pentadecaene has a molecular weight of 802.47 g/mol, XLogP of 12.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,10,10,12,12,21,28,28,30,30-decafluoro-17,35-bis(trifluoromethyl)-5,8,23,26-tetrazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(36),2(22),3,6,8,13,15(38),16,18,20,24,26,31,33(37),34-pentadecaene is sourced from PubChem (CID 169156555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).