7,27-bis(2,6-difluorophenyl)-1,18,18,21,21,38-hexafluoro-13,33-diazadodecacyclo[36.2.2.15,9.113,25.02,36.04,34.010,32.012,30.014,24.016,22.029,43.033,44]tetratetraconta-2(36),3,5(44),6,8,10(32),11,14,16(22),23,25(43),26,28,30,34-pentadecaene-17,37-dione

C54H28F10N2O2 — CID 169156673

About 7,27-bis(2,6-difluorophenyl)-1,18,18,21,21,38-hexafluoro-13,33-diazadodecacyclo[36.2.2.15,9.113,25.02,36.04,34.010,32.012,30.014,24.016,22.029,43.033,44]tetratetraconta-2(36),3,5(44),6,8,10(32),11,14,16(22),23,25(43),26,28,30,34-pentadecaene-17,37-dione

7,27-bis(2,6-difluorophenyl)-1,18,18,21,21,38-hexafluoro-13,33-diazadodecacyclo[36.2.2.15,9.113,25.02,36.04,34.010,32.012,30.014,24.016,22.029,43.033,44]tetratetraconta-2(36),3,5(44),6,8,10(32),11,14,16(22),23,25(43),26,28,30,34-pentadecaene-17,37-dione (PubChem CID 169156673) has the molecular formula C54H28F10N2O2 and a molecular weight of 926.81 g/mol. Its IUPAC name is 7,27-bis(2,6-difluorophenyl)-1,18,18,21,21,38-hexafluoro-13,33-diazadodecacyclo[36.2.2.15,9.113,25.02,36.04,34.010,32.012,30.014,24.016,22.029,43.033,44]tetratetraconta-2(36),3,5(44),6,8,10(32),11,14,16(22),23,25(43),26,28,30,34-pentadecaene-17,37-dione.

Molecular Properties

• Compound Name: 7,27-bis(2,6-difluorophenyl)-1,18,18,21,21,38-hexafluoro-13,33-diazadodecacyclo[36.2.2.15,9.113,25.02,36.04,34.010,32.012,30.014,24.016,22.029,43.033,44]tetratetraconta-2(36),3,5(44),6,8,10(32),11,14,16(22),23,25(43),26,28,30,34-pentadecaene-17,37-dione
• PubChem CID: 169156673
• Molecular Formula: C54H28F10N2O2
• Molecular Weight: 926.81 g/mol
• Exact Mass: 926.20
• IUPAC Name: 7,27-bis(2,6-difluorophenyl)-1,18,18,21,21,38-hexafluoro-13,33-diazadodecacyclo[36.2.2.15,9.113,25.02,36.04,34.010,32.012,30.014,24.016,22.029,43.033,44]tetratetraconta-2(36),3,5(44),6,8,10(32),11,14,16(22),23,25(43),26,28,30,34-pentadecaene-17,37-dione
• SMILES: O=C1c2cc3c(cc2C(F)(F)CCC1(F)F)c1cc(-c2c(F)cccc2F)cc2c4cc5c(cc4n3c12)c1cc(-c2c(F)cccc2F)cc2c3cc4c(cc3n5c21)C(=O)C1(F)CCC4(F)CC1
• InChI: InChI=1S/C54H28F10N2O2/c55-37-3-1-4-38(56)45(37)23-13-29-25-17-35-33(49(67)52(60)9-7-51(35,59)8-10-52)21-43(25)65-41-19-28-32-16-24(46-39(57)5-2-6-40(46)58)14-30-26-18-36-34(50(68)54(63,64)12-11-53(36,61)62)22-44(26)66(48(30)32)42(28)20-27(41)31(15-23)47(29)65/h1-6,13-22H,7-12H2
• InChIKey: UDQSUXIKMJPKIA-UHFFFAOYSA-N
• XLogP: 15.22
• TPSA: 42.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.81
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7,27-bis(2,6-difluorophenyl)-1,18,18,21,21,38-hexafluoro-13,33-diazadodecacyclo[36.2.2.15,9.113,25.02,36.04,34.010,32.012,30.014,24.016,22.029,43.033,44]tetratetraconta-2(36),3,5(44),6,8,10(32),11,14,16(22),23,25(43),26,28,30,34-pentadecaene-17,37-dione?

The IUPAC name of 7,27-bis(2,6-difluorophenyl)-1,18,18,21,21,38-hexafluoro-13,33-diazadodecacyclo[36.2.2.15,9.113,25.02,36.04,34.010,32.012,30.014,24.016,22.029,43.033,44]tetratetraconta-2(36),3,5(44),6,8,10(32),11,14,16(22),23,25(43),26,28,30,34-pentadecaene-17,37-dione (CID 169156673) is 7,27-bis(2,6-difluorophenyl)-1,18,18,21,21,38-hexafluoro-13,33-diazadodecacyclo[36.2.2.15,9.113,25.02,36.04,34.010,32.012,30.014,24.016,22.029,43.033,44]tetratetraconta-2(36),3,5(44),6,8,10(32),11,14,16(22),23,25(43),26,28,30,34-pentadecaene-17,37-dione.

What is the SMILES notation for 7,27-bis(2,6-difluorophenyl)-1,18,18,21,21,38-hexafluoro-13,33-diazadodecacyclo[36.2.2.15,9.113,25.02,36.04,34.010,32.012,30.014,24.016,22.029,43.033,44]tetratetraconta-2(36),3,5(44),6,8,10(32),11,14,16(22),23,25(43),26,28,30,34-pentadecaene-17,37-dione?

The canonical SMILES for 7,27-bis(2,6-difluorophenyl)-1,18,18,21,21,38-hexafluoro-13,33-diazadodecacyclo[36.2.2.15,9.113,25.02,36.04,34.010,32.012,30.014,24.016,22.029,43.033,44]tetratetraconta-2(36),3,5(44),6,8,10(32),11,14,16(22),23,25(43),26,28,30,34-pentadecaene-17,37-dione is O=C1c2cc3c(cc2C(F)(F)CCC1(F)F)c1cc(-c2c(F)cccc2F)cc2c4cc5c(cc4n3c12)c1cc(-c2c(F)cccc2F)cc2c3cc4c(cc3n5c21)C(=O)C1(F)CCC4(F)CC1.

What is the InChIKey of 7,27-bis(2,6-difluorophenyl)-1,18,18,21,21,38-hexafluoro-13,33-diazadodecacyclo[36.2.2.15,9.113,25.02,36.04,34.010,32.012,30.014,24.016,22.029,43.033,44]tetratetraconta-2(36),3,5(44),6,8,10(32),11,14,16(22),23,25(43),26,28,30,34-pentadecaene-17,37-dione?

The InChIKey is UDQSUXIKMJPKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H28F10N2O2/c55-37-3-1-4-38(56)45(37)23-13-29-25-17-35-33(49(67)52(60)9-7-51(35,59)8-10-52)21-43(25)65-41-19-28-32-16-24(46-39(57)5-2-6-40(46)58)14-30-26-18-36-34(50(68)54(63,64)12-11-53(36,61)62)22-44(26)66(48(30)32)42(28)20-27(41)31(15-23)47(29)65/h1-6,13-22H,7-12H2.

What are the key properties of 7,27-bis(2,6-difluorophenyl)-1,18,18,21,21,38-hexafluoro-13,33-diazadodecacyclo[36.2.2.15,9.113,25.02,36.04,34.010,32.012,30.014,24.016,22.029,43.033,44]tetratetraconta-2(36),3,5(44),6,8,10(32),11,14,16(22),23,25(43),26,28,30,34-pentadecaene-17,37-dione?

7,27-bis(2,6-difluorophenyl)-1,18,18,21,21,38-hexafluoro-13,33-diazadodecacyclo[36.2.2.15,9.113,25.02,36.04,34.010,32.012,30.014,24.016,22.029,43.033,44]tetratetraconta-2(36),3,5(44),6,8,10(32),11,14,16(22),23,25(43),26,28,30,34-pentadecaene-17,37-dione has a molecular weight of 926.81 g/mol, XLogP of 15.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7,27-bis(2,6-difluorophenyl)-1,18,18,21,21,38-hexafluoro-13,33-diazadodecacyclo[36.2.2.15,9.113,25.02,36.04,34.010,32.012,30.014,24.016,22.029,43.033,44]tetratetraconta-2(36),3,5(44),6,8,10(32),11,14,16(22),23,25(43),26,28,30,34-pentadecaene-17,37-dione is sourced from PubChem (CID 169156673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).