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

C114H106F8N6O12 — CID 158958712

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

6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,10-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (PubChem CID 158958712) has the molecular formula C114H106F8N6O12 and a molecular weight of 1904.12 g/mol. Its IUPAC name is 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,10-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,3,9,10-tetrafluoro-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: 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,10-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
• PubChem CID: 158958712
• Molecular Formula: C114H106F8N6O12
• Molecular Weight: 1904.12 g/mol
• Exact Mass: 1902.77
• IUPAC Name: 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,10-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,3,9,10-tetrafluoro-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)c1cccc(C(C)C)c1N1C(=O)c2c(F)c(F)c3c4c(c(F)c(F)c(c24)C1=O)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O.CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(F)c3c4c(c(F)cc(c24)C1=O)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O.CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(F)c3c4c(cc(F)c(c24)C1=O)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O
• InChI: InChI=1S/C38H34F4N2O4.2C38H36F2N2O4/c1-15(2)19-11-9-12-20(16(3)4)33(19)43-35(45)25-23-24-27(31(41)29(25)39)37(47)44(34-21(17(5)6)13-10-14-22(34)18(7)8)38(48)28(24)32(42)30(40)26(23)36(43)46;1-17(2)21-11-9-12-22(18(3)4)33(21)41-35(43)25-15-28(40)32-30-26(16-27(39)31(29(25)30)37(41)45)36(44)42(38(32)46)34-23(19(5)6)13-10-14-24(34)20(7)8;1-17(2)21-11-9-12-22(18(3)4)33(21)41-35(43)25-15-27(39)30-32-29(25)26(36(41)44)16-28(40)31(32)38(46)42(37(30)45)34-23(19(5)6)13-10-14-24(34)20(7)8/h9-18H,1-8H3;2*9-20H,1-8H3
• InChIKey: JMINMFLVXGICSB-UHFFFAOYSA-N
• XLogP: 27.92
• TPSA: 224.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1904.12
LogP ≤ 5	27.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,10-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,3,9,10-tetrafluoro-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 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,10-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (CID 158958712) is 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,10-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,3,9,10-tetrafluoro-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 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,10-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,3,9,10-tetrafluoro-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 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,10-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,3,9,10-tetrafluoro-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)c1cccc(C(C)C)c1N1C(=O)c2c(F)c(F)c3c4c(c(F)c(F)c(c24)C1=O)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O.CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(F)c3c4c(c(F)cc(c24)C1=O)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O.CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(F)c3c4c(cc(F)c(c24)C1=O)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O.

What is the InChIKey of 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,10-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,3,9,10-tetrafluoro-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 JMINMFLVXGICSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34F4N2O4.2C38H36F2N2O4/c1-15(2)19-11-9-12-20(16(3)4)33(19)43-35(45)25-23-24-27(31(41)29(25)39)37(47)44(34-21(17(5)6)13-10-14-22(34)18(7)8)38(48)28(24)32(42)30(40)26(23)36(43)46;1-17(2)21-11-9-12-22(18(3)4)33(21)41-35(43)25-15-28(40)32-30-26(16-27(39)31(29(25)30)37(41)45)36(44)42(38(32)46)34-23(19(5)6)13-10-14-24(34)20(7)8;1-17(2)21-11-9-12-22(18(3)4)33(21)41-35(43)25-15-27(39)30-32-29(25)26(36(41)44)16-28(40)31(32)38(46)42(37(30)45)34-23(19(5)6)13-10-14-24(34)20(7)8/h9-18H,1-8H3;2*9-20H,1-8H3.

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

6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,10-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,3,9,10-tetrafluoro-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 1904.12 g/mol, XLogP of 27.92, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,10-difluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;6,13-bis[2,6-di(propan-2-yl)phenyl]-2,3,9,10-tetrafluoro-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 158958712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).