10,10,12,12,28,28,30,30-octafluoro-17,35-bis(trifluoromethyl)-5,23-diazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(37),2,4(20),6(14),7,9(13),15,17,19(38),21,24(32),25,27(31),33,35-pentadecaene-8,26-dicarbonitrile

C40H12F14N4 — CID 169156511

About 10,10,12,12,28,28,30,30-octafluoro-17,35-bis(trifluoromethyl)-5,23-diazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(37),2,4(20),6(14),7,9(13),15,17,19(38),21,24(32),25,27(31),33,35-pentadecaene-8,26-dicarbonitrile

10,10,12,12,28,28,30,30-octafluoro-17,35-bis(trifluoromethyl)-5,23-diazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(37),2,4(20),6(14),7,9(13),15,17,19(38),21,24(32),25,27(31),33,35-pentadecaene-8,26-dicarbonitrile (PubChem CID 169156511) has the molecular formula C40H12F14N4 and a molecular weight of 814.54 g/mol. Its IUPAC name is 10,10,12,12,28,28,30,30-octafluoro-17,35-bis(trifluoromethyl)-5,23-diazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(37),2,4(20),6(14),7,9(13),15,17,19(38),21,24(32),25,27(31),33,35-pentadecaene-8,26-dicarbonitrile.

Molecular Properties

• Compound Name: 10,10,12,12,28,28,30,30-octafluoro-17,35-bis(trifluoromethyl)-5,23-diazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(37),2,4(20),6(14),7,9(13),15,17,19(38),21,24(32),25,27(31),33,35-pentadecaene-8,26-dicarbonitrile
• PubChem CID: 169156511
• Molecular Formula: C40H12F14N4
• Molecular Weight: 814.54 g/mol
• Exact Mass: 814.08
• IUPAC Name: 10,10,12,12,28,28,30,30-octafluoro-17,35-bis(trifluoromethyl)-5,23-diazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(37),2,4(20),6(14),7,9(13),15,17,19(38),21,24(32),25,27(31),33,35-pentadecaene-8,26-dicarbonitrile
• SMILES: N#Cc1cc2c(c3c1C(F)(F)CC3(F)F)c1cc(C(F)(F)F)cc3c4cc5c(cc4n2c31)c1cc(C(F)(F)F)cc2c3c4c(c(C#N)cc3n5c12)C(F)(F)CC4(F)F
• InChI: InChI=1S/C40H12F14N4/c41-35(42)11-37(45,46)31-27-21-5-15(39(49,50)51)3-19-17-8-24-18(7-23(17)57(33(19)21)25(27)1-13(9-55)29(31)35)20-4-16(40(52,53)54)6-22-28-26(58(24)34(20)22)2-14(10-56)30-32(28)38(47,48)12-36(30,43)44/h1-8H,11-12H2
• InChIKey: INXTYKAJHGUEMY-UHFFFAOYSA-N
• XLogP: 12.94
• TPSA: 56.40 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.54
LogP ≤ 5	12.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10,10,12,12,28,28,30,30-octafluoro-17,35-bis(trifluoromethyl)-5,23-diazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(37),2,4(20),6(14),7,9(13),15,17,19(38),21,24(32),25,27(31),33,35-pentadecaene-8,26-dicarbonitrile?

The IUPAC name of 10,10,12,12,28,28,30,30-octafluoro-17,35-bis(trifluoromethyl)-5,23-diazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(37),2,4(20),6(14),7,9(13),15,17,19(38),21,24(32),25,27(31),33,35-pentadecaene-8,26-dicarbonitrile (CID 169156511) is 10,10,12,12,28,28,30,30-octafluoro-17,35-bis(trifluoromethyl)-5,23-diazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(37),2,4(20),6(14),7,9(13),15,17,19(38),21,24(32),25,27(31),33,35-pentadecaene-8,26-dicarbonitrile.

What is the SMILES notation for 10,10,12,12,28,28,30,30-octafluoro-17,35-bis(trifluoromethyl)-5,23-diazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(37),2,4(20),6(14),7,9(13),15,17,19(38),21,24(32),25,27(31),33,35-pentadecaene-8,26-dicarbonitrile?

The canonical SMILES for 10,10,12,12,28,28,30,30-octafluoro-17,35-bis(trifluoromethyl)-5,23-diazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(37),2,4(20),6(14),7,9(13),15,17,19(38),21,24(32),25,27(31),33,35-pentadecaene-8,26-dicarbonitrile is N#Cc1cc2c(c3c1C(F)(F)CC3(F)F)c1cc(C(F)(F)F)cc3c4cc5c(cc4n2c31)c1cc(C(F)(F)F)cc2c3c4c(c(C#N)cc3n5c12)C(F)(F)CC4(F)F.

What is the InChIKey of 10,10,12,12,28,28,30,30-octafluoro-17,35-bis(trifluoromethyl)-5,23-diazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(37),2,4(20),6(14),7,9(13),15,17,19(38),21,24(32),25,27(31),33,35-pentadecaene-8,26-dicarbonitrile?

The InChIKey is INXTYKAJHGUEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H12F14N4/c41-35(42)11-37(45,46)31-27-21-5-15(39(49,50)51)3-19-17-8-24-18(7-23(17)57(33(19)21)25(27)1-13(9-55)29(31)35)20-4-16(40(52,53)54)6-22-28-26(58(24)34(20)22)2-14(10-56)30-32(28)38(47,48)12-36(30,43)44/h1-8H,11-12H2.

What are the key properties of 10,10,12,12,28,28,30,30-octafluoro-17,35-bis(trifluoromethyl)-5,23-diazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(37),2,4(20),6(14),7,9(13),15,17,19(38),21,24(32),25,27(31),33,35-pentadecaene-8,26-dicarbonitrile?

10,10,12,12,28,28,30,30-octafluoro-17,35-bis(trifluoromethyl)-5,23-diazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(37),2,4(20),6(14),7,9(13),15,17,19(38),21,24(32),25,27(31),33,35-pentadecaene-8,26-dicarbonitrile has a molecular weight of 814.54 g/mol, XLogP of 12.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10,12,12,28,28,30,30-octafluoro-17,35-bis(trifluoromethyl)-5,23-diazaundecacyclo[21.13.1.15,15.02,22.04,20.06,14.09,13.024,32.027,31.033,37.019,38]octatriaconta-1(37),2,4(20),6(14),7,9(13),15,17,19(38),21,24(32),25,27(31),33,35-pentadecaene-8,26-dicarbonitrile is sourced from PubChem (CID 169156511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).