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

C26H8F6N2O4 — CID 171592280

IUPAC2,3,9,10-tetrafluoro-6,13-bis(3-fluorophenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILESO=C1c2c(F)c(F)c3c4c(c(F)c(F)c(c24)C(=O)N1c1cccc(F)c1)C(=O)N(c1cccc(F)c1)C3=O
InChIInChI=1S/C26H8F6N2O4/c27-9-3-1-5-11(7-9)33-23(35)15-13-14-17(21(31)19(15)29)25(37)34(12-6-2-4-10(28)8-12)26(38)18(14)22(32)20(30)16(13)24(33)36/h1-8H
InChIKeyNEGOPMCNZPOGEV-UHFFFAOYSA-N
MW526.35 g/mol
LogP5.28
Rot. Bonds2

About 2,3,9,10-tetrafluoro-6,13-bis(3-fluorophenyl)-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-6,13-bis(3-fluorophenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (PubChem CID 171592280) has the molecular formula C26H8F6N2O4 and a molecular weight of 526.35 g/mol. Its IUPAC name is 2,3,9,10-tetrafluoro-6,13-bis(3-fluorophenyl)-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 Name2,3,9,10-tetrafluoro-6,13-bis(3-fluorophenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
PubChem CID171592280
Molecular FormulaC26H8F6N2O4
Molecular Weight526.35 g/mol
Exact Mass526.04
IUPAC Name2,3,9,10-tetrafluoro-6,13-bis(3-fluorophenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILESO=C1c2c(F)c(F)c3c4c(c(F)c(F)c(c24)C(=O)N1c1cccc(F)c1)C(=O)N(c1cccc(F)c1)C3=O
InChIInChI=1S/C26H8F6N2O4/c27-9-3-1-5-11(7-9)33-23(35)15-13-14-17(21(31)19(15)29)25(37)34(12-6-2-4-10(28)8-12)26(38)18(14)22(32)20(30)16(13)24(33)36/h1-8H
InChIKeyNEGOPMCNZPOGEV-UHFFFAOYSA-N
XLogP5.28
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.35
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3,9,10-tetrafluoro-6,13-bis(3-fluorophenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,9,10-tetrafluoro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 171592153
4,9-diethoxy-2-(3-fluorophenyl)benzo[f]isoindole-1,3-dione
CID 141185203
2-(3,5-difluorophenyl)-4,5,6,7-tetrafluoroisoindole-1,3-dione
CID 27101385
1-(3-fluorophenyl)piperidine-2,6-dione
CID 82077412
4,5,6-trifluoro-2-phenylisoindole-1,3-dione
CID 54452538
6,13-bis(3-fluorophenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrathione
CID 171592244
3-(3-fluorophenyl)-1-phenylimidazolidine-2,4-dione
CID 61030217
2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione
CID 18524298
2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430521
2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 2933748
3-(3-fluorophenyl)-5-hydroxy-1-methylimidazolidine-2,4-dione
CID 19846702
(1R,2R,6S,7S,8S,10R)-4-(3-fluorophenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodecane-3,5-dione
CID 68542080

Frequently Asked Questions

What is the IUPAC name of 2,3,9,10-tetrafluoro-6,13-bis(3-fluorophenyl)-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-6,13-bis(3-fluorophenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (CID 171592280) is 2,3,9,10-tetrafluoro-6,13-bis(3-fluorophenyl)-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-6,13-bis(3-fluorophenyl)-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-6,13-bis(3-fluorophenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is O=C1c2c(F)c(F)c3c4c(c(F)c(F)c(c24)C(=O)N1c1cccc(F)c1)C(=O)N(c1cccc(F)c1)C3=O.
What is the InChIKey of 2,3,9,10-tetrafluoro-6,13-bis(3-fluorophenyl)-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 NEGOPMCNZPOGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H8F6N2O4/c27-9-3-1-5-11(7-9)33-23(35)15-13-14-17(21(31)19(15)29)25(37)34(12-6-2-4-10(28)8-12)26(38)18(14)22(32)20(30)16(13)24(33)36/h1-8H.
What are the key properties of 2,3,9,10-tetrafluoro-6,13-bis(3-fluorophenyl)-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-6,13-bis(3-fluorophenyl)-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 526.35 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9,10-tetrafluoro-6,13-bis(3-fluorophenyl)-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 171592280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).