(3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate

C26H13F3O6S — CID 121242466

IUPAC(3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate
SMILESO=c1oc2cc(-c3cccc4oc5ccccc5c34)ccc2c2ccc(OS(=O)(=O)C(F)(F)F)cc12
InChIInChI=1S/C26H13F3O6S/c27-26(28,29)36(31,32)35-15-9-11-17-18-10-8-14(12-23(18)34-25(30)20(17)13-15)16-5-3-7-22-24(16)19-4-1-2-6-21(19)33-22/h1-13H
InChIKeyAPCGXQHHGQHFCU-UHFFFAOYSA-N
MW510.45 g/mol
LogP6.74
Rot. Bonds3

About (3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate

(3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate (PubChem CID 121242466) has the molecular formula C26H13F3O6S and a molecular weight of 510.45 g/mol. Its IUPAC name is (3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate
PubChem CID121242466
Molecular FormulaC26H13F3O6S
Molecular Weight510.45 g/mol
Exact Mass510.04
IUPAC Name(3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate
SMILESO=c1oc2cc(-c3cccc4oc5ccccc5c34)ccc2c2ccc(OS(=O)(=O)C(F)(F)F)cc12
InChIInChI=1S/C26H13F3O6S/c27-26(28,29)36(31,32)35-15-9-11-17-18-10-8-14(12-23(18)34-25(30)20(17)13-15)16-5-3-7-22-24(16)19-4-1-2-6-21(19)33-22/h1-13H
InChIKeyAPCGXQHHGQHFCU-UHFFFAOYSA-N
XLogP6.74
TPSA86.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.45
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze (3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate 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-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline
CID 164835596
2-dibenzofuran-3-yl-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 176765102
3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one
CID 159976214
8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one
CID 121242345
3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one
CID 121242499
27-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.021,26]nonacosa-1(29),2(11),3,5,7,9,12,14,16,18,20(28),21,23,25-tetradecaen-9-yl trifluoromethanesulfonate
CID 166723826
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
2-[6-oxo-9-(trifluoromethylsulfonyloxy)xanthen-3-yl]benzoic acid
CID 22134777
7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100580
2-[8-(3-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597252

Frequently Asked Questions

What is the IUPAC name of (3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate?
The IUPAC name of (3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate (CID 121242466) is (3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate.
What is the SMILES notation for (3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate?
The canonical SMILES for (3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate is O=c1oc2cc(-c3cccc4oc5ccccc5c34)ccc2c2ccc(OS(=O)(=O)C(F)(F)F)cc12.
What is the InChIKey of (3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate?
The InChIKey is APCGXQHHGQHFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H13F3O6S/c27-26(28,29)36(31,32)35-15-9-11-17-18-10-8-14(12-23(18)34-25(30)20(17)13-15)16-5-3-7-22-24(16)19-4-1-2-6-21(19)33-22/h1-13H.
What are the key properties of (3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate?
(3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate has a molecular weight of 510.45 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate is sourced from PubChem (CID 121242466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).