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

C26H10F4N2O4 — CID 171592153

IUPAC2,3,9,10-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
SMILESO=C1c2c(F)c(F)c3c4c(c(F)c(F)c(c24)C(=O)N1c1ccccc1)C(=O)N(c1ccccc1)C3=O
InChIInChI=1S/C26H10F4N2O4/c27-19-15-13-14-17(21(19)29)25(35)32(12-9-5-2-6-10-12)26(36)18(14)22(30)20(28)16(13)24(34)31(23(15)33)11-7-3-1-4-8-11/h1-10H
InChIKeyJNMKBWVFMPJCOA-UHFFFAOYSA-N
MW490.37 g/mol
LogP5.00
Rot. Bonds2

About 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

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 (PubChem CID 171592153) has the molecular formula C26H10F4N2O4 and a molecular weight of 490.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,3,9,10-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
PubChem CID171592153
Molecular FormulaC26H10F4N2O4
Molecular Weight490.37 g/mol
Exact Mass490.06
IUPAC Name2,3,9,10-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
SMILESO=C1c2c(F)c(F)c3c4c(c(F)c(F)c(c24)C(=O)N1c1ccccc1)C(=O)N(c1ccccc1)C3=O
InChIInChI=1S/C26H10F4N2O4/c27-19-15-13-14-17(21(19)29)25(35)32(12-9-5-2-6-10-12)26(36)18(14)22(30)20(28)16(13)24(34)31(23(15)33)11-7-3-1-4-8-11/h1-10H
InChIKeyJNMKBWVFMPJCOA-UHFFFAOYSA-N
XLogP5.00
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.37
LogP ≤ 55.00
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-diphenyl-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-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
4,5,6-trifluoro-2-phenylisoindole-1,3-dione
CID 54452538
3,4-difluoro-1-phenylpyrrole-2,5-dione
CID 13059269
4,7-dibromo-5,6-dichloro-2-phenylisoindole-1,3-dione
CID 53232013
4-methyl-2-phenylisoindole-1,3-dione
CID 12746962
1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone
CID 22323521
2-(3,5-difluorophenyl)-4,5,6,7-tetrafluoroisoindole-1,3-dione
CID 27101385
2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione
CID 171059839
2,9-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-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 46218423
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
4,6-dihydroxy-5-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 5409731
1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione
CID 138976955

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1c2c(F)c(F)c3c4c(c(F)c(F)c(c24)C(=O)N1c1ccccc1)C(=O)N(c1ccccc1)C3=O.
What is the InChIKey of 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?
The InChIKey is JNMKBWVFMPJCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H10F4N2O4/c27-19-15-13-14-17(21(19)29)25(35)32(12-9-5-2-6-10-12)26(36)18(14)22(30)20(28)16(13)24(34)31(23(15)33)11-7-3-1-4-8-11/h1-10H.
What are the key properties of 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?
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 has a molecular weight of 490.37 g/mol, XLogP of 5.00, 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-diphenyl-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 171592153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).