7,18-diethyl-11,14,22,26-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone;11,26-difluoro-7,18-bis(1-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone

C68H38F6N4O8 — CID 91190325

About 7,18-diethyl-11,14,22,26-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone;11,26-difluoro-7,18-bis(1-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone

7,18-diethyl-11,14,22,26-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone;11,26-difluoro-7,18-bis(1-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone (PubChem CID 91190325) has the molecular formula C68H38F6N4O8 and a molecular weight of 1153.06 g/mol. Its IUPAC name is 7,18-diethyl-11,14,22,26-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone;11,26-difluoro-7,18-bis(1-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone.

Molecular Properties

• Compound Name: 7,18-diethyl-11,14,22,26-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone;11,26-difluoro-7,18-bis(1-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone
• PubChem CID: 91190325
• Molecular Formula: C68H38F6N4O8
• Molecular Weight: 1153.06 g/mol
• Exact Mass: 1152.26
• IUPAC Name: 7,18-diethyl-11,14,22,26-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone;11,26-difluoro-7,18-bis(1-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone
• SMILES: CC(c1ccccc1)N1C(=O)c2ccc3c4c(F)cc5c6c(cc(F)c(c7ccc(c2c37)C1=O)c64)C(=O)N(C(C)c1ccccc1)C5=O.CCN1C(=O)c2cc(F)c3c4c(F)cc5c6c(cc(F)c(c7c(F)cc(c2c37)C1=O)c64)C(=O)N(CC)C5=O
• InChI: InChI=1S/C40H24F2N2O4.C28H14F4N2O4/c1-19(21-9-5-3-6-10-21)43-37(45)25-15-13-23-31-24(14-16-26(32(25)31)38(43)46)35-30(42)18-28-33-27(17-29(41)34(23)36(33)35)39(47)44(40(28)48)20(2)22-11-7-4-8-12-22;1-3-33-25(35)9-5-13(29)19-21-15(31)7-11-18-12(28(38)34(4-2)27(11)37)8-16(32)22(24(18)21)20-14(30)6-10(26(33)36)17(9)23(19)20/h3-20H,1-2H3;5-8H,3-4H2,1-2H3
• InChIKey: DVRSWTVVCIYCTG-UHFFFAOYSA-N
• XLogP: 14.26
• TPSA: 149.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1153.06
LogP ≤ 5	14.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,18-diethyl-11,14,22,26-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone;11,26-difluoro-7,18-bis(1-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone?

The IUPAC name of 7,18-diethyl-11,14,22,26-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone;11,26-difluoro-7,18-bis(1-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone (CID 91190325) is 7,18-diethyl-11,14,22,26-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone;11,26-difluoro-7,18-bis(1-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone.

What is the SMILES notation for 7,18-diethyl-11,14,22,26-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone;11,26-difluoro-7,18-bis(1-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone?

The canonical SMILES for 7,18-diethyl-11,14,22,26-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone;11,26-difluoro-7,18-bis(1-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone is CC(c1ccccc1)N1C(=O)c2ccc3c4c(F)cc5c6c(cc(F)c(c7ccc(c2c37)C1=O)c64)C(=O)N(C(C)c1ccccc1)C5=O.CCN1C(=O)c2cc(F)c3c4c(F)cc5c6c(cc(F)c(c7c(F)cc(c2c37)C1=O)c64)C(=O)N(CC)C5=O.

What is the InChIKey of 7,18-diethyl-11,14,22,26-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone;11,26-difluoro-7,18-bis(1-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone?

The InChIKey is DVRSWTVVCIYCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24F2N2O4.C28H14F4N2O4/c1-19(21-9-5-3-6-10-21)43-37(45)25-15-13-23-31-24(14-16-26(32(25)31)38(43)46)35-30(42)18-28-33-27(17-29(41)34(23)36(33)35)39(47)44(40(28)48)20(2)22-11-7-4-8-12-22;1-3-33-25(35)9-5-13(29)19-21-15(31)7-11-18-12(28(38)34(4-2)27(11)37)8-16(32)22(24(18)21)20-14(30)6-10(26(33)36)17(9)23(19)20/h3-20H,1-2H3;5-8H,3-4H2,1-2H3.

What are the key properties of 7,18-diethyl-11,14,22,26-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone;11,26-difluoro-7,18-bis(1-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone?

7,18-diethyl-11,14,22,26-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone;11,26-difluoro-7,18-bis(1-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone has a molecular weight of 1153.06 g/mol, XLogP of 14.26, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7,18-diethyl-11,14,22,26-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone;11,26-difluoro-7,18-bis(1-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 91190325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).