2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone

C24H14As2F6N2O4 — CID 102195126

IUPAC2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
SMILESC[As]1C2=C(C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)[As](C)C2=C1C(=O)N(c1cccc(C(F)(F)F)c1)C2=O
InChIInChI=1S/C24H14As2F6N2O4/c1-25-15-17(21(37)33(19(15)35)13-7-3-5-11(9-13)23(27,28)29)26(2)18-16(25)20(36)34(22(18)38)14-8-4-6-12(10-14)24(30,31)32/h3-10H,1-2H3
InChIKeyBRYYUUFYEBIPNR-UHFFFAOYSA-N
MW658.22 g/mol
LogP4.18
Rot. Bonds2

About 2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone

2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone (PubChem CID 102195126) has the molecular formula C24H14As2F6N2O4 and a molecular weight of 658.22 g/mol. Its IUPAC name is 2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone.

Molecular Properties

Compound Name2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
PubChem CID102195126
Molecular FormulaC24H14As2F6N2O4
Molecular Weight658.22 g/mol
Exact Mass657.93
IUPAC Name2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
SMILESC[As]1C2=C(C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)[As](C)C2=C1C(=O)N(c1cccc(C(F)(F)F)c1)C2=O
InChIInChI=1S/C24H14As2F6N2O4/c1-25-15-17(21(37)33(19(15)35)13-7-3-5-11(9-13)23(27,28)29)26(2)18-16(25)20(36)34(22(18)38)14-8-4-6-12(10-14)24(30,31)32/h3-10H,1-2H3
InChIKeyBRYYUUFYEBIPNR-UHFFFAOYSA-N
XLogP4.18
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500658.22
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone?
The IUPAC name of 2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone (CID 102195126) is 2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone.
What is the SMILES notation for 2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone?
The canonical SMILES for 2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone is C[As]1C2=C(C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)[As](C)C2=C1C(=O)N(c1cccc(C(F)(F)F)c1)C2=O.
What is the InChIKey of 2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone?
The InChIKey is BRYYUUFYEBIPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14As2F6N2O4/c1-25-15-17(21(37)33(19(15)35)13-7-3-5-11(9-13)23(27,28)29)26(2)18-16(25)20(36)34(22(18)38)14-8-4-6-12(10-14)24(30,31)32/h3-10H,1-2H3.
What are the key properties of 2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone?
2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone has a molecular weight of 658.22 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone is sourced from PubChem (CID 102195126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).