2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione

C24H15F6N3O3 — CID 25210975

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C24H15F6N3O3/c1-32-20-17(21(35)33(2)22(32)36)15(16-18(31-20)13-5-3-4-6-14(13)19(16)34)10-7-11(23(25,26)27)9-12(8-10)24(28,29)30/h3-9,15,31H,1-2H3
InChIKeyQFCBBYVKBMLBPB-UHFFFAOYSA-N
MW507.39 g/mol
LogP4.29
Rot. Bonds1

About 2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione

2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione (PubChem CID 25210975) has the molecular formula C24H15F6N3O3 and a molecular weight of 507.39 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
PubChem CID25210975
Molecular FormulaC24H15F6N3O3
Molecular Weight507.39 g/mol
Exact Mass507.10
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C24H15F6N3O3/c1-32-20-17(21(35)33(2)22(32)36)15(16-18(31-20)13-5-3-4-6-14(13)19(16)34)10-7-11(23(25,26)27)9-12(8-10)24(28,29)30/h3-9,15,31H,1-2H3
InChIKeyQFCBBYVKBMLBPB-UHFFFAOYSA-N
XLogP4.29
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione (CID 25210975) is 2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione is Cn1c2c(c(=O)n(C)c1=O)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1=C(N2)c2ccccc2C1=O.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione?
The InChIKey is QFCBBYVKBMLBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F6N3O3/c1-32-20-17(21(35)33(2)22(32)36)15(16-18(31-20)13-5-3-4-6-14(13)19(16)34)10-7-11(23(25,26)27)9-12(8-10)24(28,29)30/h3-9,15,31H,1-2H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione?
2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione has a molecular weight of 507.39 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione is sourced from PubChem (CID 25210975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).