1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine

C28H17F3N2O2 — CID 158142418

IUPAC1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine
SMILESCc1cccc(C(F)(F)F)c1Oc1nnc(-c2cc3ccccc3o2)c2cc3ccccc3cc12
InChIInChI=1S/C28H17F3N2O2/c1-16-7-6-11-22(28(29,30)31)26(16)35-27-21-14-18-9-3-2-8-17(18)13-20(21)25(32-33-27)24-15-19-10-4-5-12-23(19)34-24/h2-15H,1H3
InChIKeyUNOXFUJMVFVKNB-UHFFFAOYSA-N
MW470.45 g/mol
LogP8.32
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine

1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine (PubChem CID 158142418) has the molecular formula C28H17F3N2O2 and a molecular weight of 470.45 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine
PubChem CID158142418
Molecular FormulaC28H17F3N2O2
Molecular Weight470.45 g/mol
Exact Mass470.12
IUPAC Name1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine
SMILESCc1cccc(C(F)(F)F)c1Oc1nnc(-c2cc3ccccc3o2)c2cc3ccccc3cc12
InChIInChI=1S/C28H17F3N2O2/c1-16-7-6-11-22(28(29,30)31)26(16)35-27-21-14-18-9-3-2-8-17(18)13-20(21)25(32-33-27)24-15-19-10-4-5-12-23(19)34-24/h2-15H,1H3
InChIKeyUNOXFUJMVFVKNB-UHFFFAOYSA-N
XLogP8.32
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.45
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine 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

4-(1-benzofuran-2-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]benzo[g]phthalazine
CID 158775734
1-(1-benzothiophen-2-yl)-4-[2-methyl-3,4,6-tris(trifluoromethyl)phenoxy]benzo[g]phthalazine
CID 157318003
1-(3H-1-benzofuran-3-id-2-yl)-4-[2-methyl-3,4,5-tris(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-(3H-1-benzofuran-3-id-2-yl)-4-[2-methyl-3,4,6-tris(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-(3H-1-benzofuran-3-id-2-yl)-4-[2-methyl-3,5,6-tris(trifluoromethyl)phenoxy]benzo[g]phthalazine;tris(iridium)
CID 159505052
1-(1-benzofuran-2-yl)-4-(3,6-ditert-butylcarbazol-9-yl)benzo[g]phthalazine
CID 153289265
2-methyl-4-(trifluoromethyl)-1-benzofuran
CID 175846735
4-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
CID 117184696
2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine
CID 114734051
2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran
CID 58501158
1-methyl-7-(trifluoromethyl)chrysene
CID 58362219
2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole
CID 130953338
5-(1-benzofuran-2-yl)-1-methyltetrazole
CID 57215043
4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine
CID 158718183

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine?
The IUPAC name of 1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine (CID 158142418) is 1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine is Cc1cccc(C(F)(F)F)c1Oc1nnc(-c2cc3ccccc3o2)c2cc3ccccc3cc12.
What is the InChIKey of 1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine?
The InChIKey is UNOXFUJMVFVKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17F3N2O2/c1-16-7-6-11-22(28(29,30)31)26(16)35-27-21-14-18-9-3-2-8-17(18)13-20(21)25(32-33-27)24-15-19-10-4-5-12-23(19)34-24/h2-15H,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine?
1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine has a molecular weight of 470.45 g/mol, XLogP of 8.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine is sourced from PubChem (CID 158142418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).