17,17,24,24,44,44,51,51-octafluoro-13,40-diazapentadecacyclo[27.25.1.12,13.03,12.04,9.014,27.016,25.018,23.030,39.031,36.040,55.041,54.043,52.045,50.028,56]hexapentaconta-1(55),2(56),3(12),4(9),10,14,16(25),18,20,22,26,28,30(39),31(36),37,41,43(52),45,47,49,53-henicosaene-10,37-dicarbonitrile

C56H30F8N4 — CID 164528702

About 17,17,24,24,44,44,51,51-octafluoro-13,40-diazapentadecacyclo[27.25.1.12,13.03,12.04,9.014,27.016,25.018,23.030,39.031,36.040,55.041,54.043,52.045,50.028,56]hexapentaconta-1(55),2(56),3(12),4(9),10,14,16(25),18,20,22,26,28,30(39),31(36),37,41,43(52),45,47,49,53-henicosaene-10,37-dicarbonitrile

17,17,24,24,44,44,51,51-octafluoro-13,40-diazapentadecacyclo[27.25.1.12,13.03,12.04,9.014,27.016,25.018,23.030,39.031,36.040,55.041,54.043,52.045,50.028,56]hexapentaconta-1(55),2(56),3(12),4(9),10,14,16(25),18,20,22,26,28,30(39),31(36),37,41,43(52),45,47,49,53-henicosaene-10,37-dicarbonitrile (PubChem CID 164528702) has the molecular formula C56H30F8N4 and a molecular weight of 910.87 g/mol. Its IUPAC name is 17,17,24,24,44,44,51,51-octafluoro-13,40-diazapentadecacyclo[27.25.1.12,13.03,12.04,9.014,27.016,25.018,23.030,39.031,36.040,55.041,54.043,52.045,50.028,56]hexapentaconta-1(55),2(56),3(12),4(9),10,14,16(25),18,20,22,26,28,30(39),31(36),37,41,43(52),45,47,49,53-henicosaene-10,37-dicarbonitrile.

Molecular Properties

• Compound Name: 17,17,24,24,44,44,51,51-octafluoro-13,40-diazapentadecacyclo[27.25.1.12,13.03,12.04,9.014,27.016,25.018,23.030,39.031,36.040,55.041,54.043,52.045,50.028,56]hexapentaconta-1(55),2(56),3(12),4(9),10,14,16(25),18,20,22,26,28,30(39),31(36),37,41,43(52),45,47,49,53-henicosaene-10,37-dicarbonitrile
• PubChem CID: 164528702
• Molecular Formula: C56H30F8N4
• Molecular Weight: 910.87 g/mol
• Exact Mass: 910.23
• IUPAC Name: 17,17,24,24,44,44,51,51-octafluoro-13,40-diazapentadecacyclo[27.25.1.12,13.03,12.04,9.014,27.016,25.018,23.030,39.031,36.040,55.041,54.043,52.045,50.028,56]hexapentaconta-1(55),2(56),3(12),4(9),10,14,16(25),18,20,22,26,28,30(39),31(36),37,41,43(52),45,47,49,53-henicosaene-10,37-dicarbonitrile
• SMILES: N#Cc1cc2c(c3c1CCCC3)c1c3c4cc5c(cc4n4c6cc(C#N)c7c(c6c(c6c8cc9c(cc8n2c61)C(F)(F)c1ccccc1C9(F)F)c34)CCCC7)C(F)(F)c1ccccc1C5(F)F
• InChI: InChI=1S/C56H30F8N4/c57-53(58)33-13-5-8-16-36(33)56(63,64)40-22-42-31(19-37(40)53)47-49-45-29-11-3-1-9-27(29)25(23-65)17-43(45)67-41-21-39-38(54(59,60)34-14-6-7-15-35(34)55(39,61)62)20-32(41)48(51(49)67)50-46-30-12-4-2-10-28(30)26(24-66)18-44(46)68(42)52(47)50/h5-8,13-22H,1-4,9-12H2
• InChIKey: MWFJPZYSPCTYSX-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 56.40 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.87
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 17,17,24,24,44,44,51,51-octafluoro-13,40-diazapentadecacyclo[27.25.1.12,13.03,12.04,9.014,27.016,25.018,23.030,39.031,36.040,55.041,54.043,52.045,50.028,56]hexapentaconta-1(55),2(56),3(12),4(9),10,14,16(25),18,20,22,26,28,30(39),31(36),37,41,43(52),45,47,49,53-henicosaene-10,37-dicarbonitrile?

The IUPAC name of 17,17,24,24,44,44,51,51-octafluoro-13,40-diazapentadecacyclo[27.25.1.12,13.03,12.04,9.014,27.016,25.018,23.030,39.031,36.040,55.041,54.043,52.045,50.028,56]hexapentaconta-1(55),2(56),3(12),4(9),10,14,16(25),18,20,22,26,28,30(39),31(36),37,41,43(52),45,47,49,53-henicosaene-10,37-dicarbonitrile (CID 164528702) is 17,17,24,24,44,44,51,51-octafluoro-13,40-diazapentadecacyclo[27.25.1.12,13.03,12.04,9.014,27.016,25.018,23.030,39.031,36.040,55.041,54.043,52.045,50.028,56]hexapentaconta-1(55),2(56),3(12),4(9),10,14,16(25),18,20,22,26,28,30(39),31(36),37,41,43(52),45,47,49,53-henicosaene-10,37-dicarbonitrile.

What is the SMILES notation for 17,17,24,24,44,44,51,51-octafluoro-13,40-diazapentadecacyclo[27.25.1.12,13.03,12.04,9.014,27.016,25.018,23.030,39.031,36.040,55.041,54.043,52.045,50.028,56]hexapentaconta-1(55),2(56),3(12),4(9),10,14,16(25),18,20,22,26,28,30(39),31(36),37,41,43(52),45,47,49,53-henicosaene-10,37-dicarbonitrile?

The canonical SMILES for 17,17,24,24,44,44,51,51-octafluoro-13,40-diazapentadecacyclo[27.25.1.12,13.03,12.04,9.014,27.016,25.018,23.030,39.031,36.040,55.041,54.043,52.045,50.028,56]hexapentaconta-1(55),2(56),3(12),4(9),10,14,16(25),18,20,22,26,28,30(39),31(36),37,41,43(52),45,47,49,53-henicosaene-10,37-dicarbonitrile is N#Cc1cc2c(c3c1CCCC3)c1c3c4cc5c(cc4n4c6cc(C#N)c7c(c6c(c6c8cc9c(cc8n2c61)C(F)(F)c1ccccc1C9(F)F)c34)CCCC7)C(F)(F)c1ccccc1C5(F)F.

What is the InChIKey of 17,17,24,24,44,44,51,51-octafluoro-13,40-diazapentadecacyclo[27.25.1.12,13.03,12.04,9.014,27.016,25.018,23.030,39.031,36.040,55.041,54.043,52.045,50.028,56]hexapentaconta-1(55),2(56),3(12),4(9),10,14,16(25),18,20,22,26,28,30(39),31(36),37,41,43(52),45,47,49,53-henicosaene-10,37-dicarbonitrile?

The InChIKey is MWFJPZYSPCTYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H30F8N4/c57-53(58)33-13-5-8-16-36(33)56(63,64)40-22-42-31(19-37(40)53)47-49-45-29-11-3-1-9-27(29)25(23-65)17-43(45)67-41-21-39-38(54(59,60)34-14-6-7-15-35(34)55(39,61)62)20-32(41)48(51(49)67)50-46-30-12-4-2-10-28(30)26(24-66)18-44(46)68(42)52(47)50/h5-8,13-22H,1-4,9-12H2.

What are the key properties of 17,17,24,24,44,44,51,51-octafluoro-13,40-diazapentadecacyclo[27.25.1.12,13.03,12.04,9.014,27.016,25.018,23.030,39.031,36.040,55.041,54.043,52.045,50.028,56]hexapentaconta-1(55),2(56),3(12),4(9),10,14,16(25),18,20,22,26,28,30(39),31(36),37,41,43(52),45,47,49,53-henicosaene-10,37-dicarbonitrile?

17,17,24,24,44,44,51,51-octafluoro-13,40-diazapentadecacyclo[27.25.1.12,13.03,12.04,9.014,27.016,25.018,23.030,39.031,36.040,55.041,54.043,52.045,50.028,56]hexapentaconta-1(55),2(56),3(12),4(9),10,14,16(25),18,20,22,26,28,30(39),31(36),37,41,43(52),45,47,49,53-henicosaene-10,37-dicarbonitrile has a molecular weight of 910.87 g/mol, XLogP of 14.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 17,17,24,24,44,44,51,51-octafluoro-13,40-diazapentadecacyclo[27.25.1.12,13.03,12.04,9.014,27.016,25.018,23.030,39.031,36.040,55.041,54.043,52.045,50.028,56]hexapentaconta-1(55),2(56),3(12),4(9),10,14,16(25),18,20,22,26,28,30(39),31(36),37,41,43(52),45,47,49,53-henicosaene-10,37-dicarbonitrile is sourced from PubChem (CID 164528702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).