2,3,9,10-tetrafluoro-6-propan-2-yl-13-(2,3,9,10-tetrafluoro-5,7,12,14-tetraoxo-13-propan-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

C34H14F8N4O8 — CID 59348326

About 2,3,9,10-tetrafluoro-6-propan-2-yl-13-(2,3,9,10-tetrafluoro-5,7,12,14-tetraoxo-13-propan-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

2,3,9,10-tetrafluoro-6-propan-2-yl-13-(2,3,9,10-tetrafluoro-5,7,12,14-tetraoxo-13-propan-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (PubChem CID 59348326) has the molecular formula C34H14F8N4O8 and a molecular weight of 758.49 g/mol. Its IUPAC name is 2,3,9,10-tetrafluoro-6-propan-2-yl-13-(2,3,9,10-tetrafluoro-5,7,12,14-tetraoxo-13-propan-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone.

Molecular Properties

• Compound Name: 2,3,9,10-tetrafluoro-6-propan-2-yl-13-(2,3,9,10-tetrafluoro-5,7,12,14-tetraoxo-13-propan-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
• PubChem CID: 59348326
• Molecular Formula: C34H14F8N4O8
• Molecular Weight: 758.49 g/mol
• Exact Mass: 758.07
• IUPAC Name: 2,3,9,10-tetrafluoro-6-propan-2-yl-13-(2,3,9,10-tetrafluoro-5,7,12,14-tetraoxo-13-propan-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
• SMILES: CC(C)N1C(=O)c2c(F)c(F)c3c4c(c(F)c(F)c(c24)C1=O)C(=O)N(N1C(=O)c2c(F)c(F)c4c5c(c(F)c(F)c(c25)C1=O)C(=O)N(C(C)C)C4=O)C3=O
• InChI: InChI=1S/C34H14F8N4O8/c1-5(2)43-27(47)11-7-9-15(23(39)19(11)35)31(51)45(32(52)16(9)24(40)20(36)12(7)28(43)48)46-33(53)17-10-8-13(21(37)25(17)41)29(49)44(6(3)4)30(50)14(8)22(38)26(42)18(10)34(46)54/h5-6H,1-4H3
• InChIKey: VKFDMERTRPJFSL-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 149.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	758.49
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3,9,10-tetrafluoro-6-propan-2-yl-13-(2,3,9,10-tetrafluoro-5,7,12,14-tetraoxo-13-propan-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?

The IUPAC name of 2,3,9,10-tetrafluoro-6-propan-2-yl-13-(2,3,9,10-tetrafluoro-5,7,12,14-tetraoxo-13-propan-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (CID 59348326) is 2,3,9,10-tetrafluoro-6-propan-2-yl-13-(2,3,9,10-tetrafluoro-5,7,12,14-tetraoxo-13-propan-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone.

What is the SMILES notation for 2,3,9,10-tetrafluoro-6-propan-2-yl-13-(2,3,9,10-tetrafluoro-5,7,12,14-tetraoxo-13-propan-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?

The canonical SMILES for 2,3,9,10-tetrafluoro-6-propan-2-yl-13-(2,3,9,10-tetrafluoro-5,7,12,14-tetraoxo-13-propan-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is CC(C)N1C(=O)c2c(F)c(F)c3c4c(c(F)c(F)c(c24)C1=O)C(=O)N(N1C(=O)c2c(F)c(F)c4c5c(c(F)c(F)c(c25)C1=O)C(=O)N(C(C)C)C4=O)C3=O.

What is the InChIKey of 2,3,9,10-tetrafluoro-6-propan-2-yl-13-(2,3,9,10-tetrafluoro-5,7,12,14-tetraoxo-13-propan-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?

The InChIKey is VKFDMERTRPJFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H14F8N4O8/c1-5(2)43-27(47)11-7-9-15(23(39)19(11)35)31(51)45(32(52)16(9)24(40)20(36)12(7)28(43)48)46-33(53)17-10-8-13(21(37)25(17)41)29(49)44(6(3)4)30(50)14(8)22(38)26(42)18(10)34(46)54/h5-6H,1-4H3.

What are the key properties of 2,3,9,10-tetrafluoro-6-propan-2-yl-13-(2,3,9,10-tetrafluoro-5,7,12,14-tetraoxo-13-propan-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?

2,3,9,10-tetrafluoro-6-propan-2-yl-13-(2,3,9,10-tetrafluoro-5,7,12,14-tetraoxo-13-propan-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone has a molecular weight of 758.49 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,9,10-tetrafluoro-6-propan-2-yl-13-(2,3,9,10-tetrafluoro-5,7,12,14-tetraoxo-13-propan-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 59348326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).