methyl 2-dibenzofuran-1-yl-5-phenylbenzoate

C26H18O3 — CID 154647061

IUPACmethyl 2-dibenzofuran-1-yl-5-phenylbenzoate
SMILESCOC(=O)c1cc(-c2ccccc2)ccc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C26H18O3/c1-28-26(27)22-16-18(17-8-3-2-4-9-17)14-15-19(22)20-11-7-13-24-25(20)21-10-5-6-12-23(21)29-24/h2-16H,1H3
InChIKeyOAHYFHSDOYATCY-UHFFFAOYSA-N
MW378.43 g/mol
LogP6.71
Rot. Bonds3

About methyl 2-dibenzofuran-1-yl-5-phenylbenzoate

methyl 2-dibenzofuran-1-yl-5-phenylbenzoate (PubChem CID 154647061) has the molecular formula C26H18O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is methyl 2-dibenzofuran-1-yl-5-phenylbenzoate.

Molecular Properties

Compound Namemethyl 2-dibenzofuran-1-yl-5-phenylbenzoate
PubChem CID154647061
Molecular FormulaC26H18O3
Molecular Weight378.43 g/mol
Exact Mass378.13
IUPAC Namemethyl 2-dibenzofuran-1-yl-5-phenylbenzoate
SMILESCOC(=O)c1cc(-c2ccccc2)ccc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C26H18O3/c1-28-26(27)22-16-18(17-8-3-2-4-9-17)14-15-19(22)20-11-7-13-24-25(20)21-10-5-6-12-23(21)29-24/h2-16H,1H3
InChIKeyOAHYFHSDOYATCY-UHFFFAOYSA-N
XLogP6.71
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-dibenzofuran-1-yl-5-phenylbenzoate 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

methyl 2-dibenzofuran-1-yl-5-sulfanylbenzoate
CID 163510552
17-bromo-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-one;methyl 5-bromo-2-dibenzofuran-1-ylbenzoate
CID 159293965
1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran
CID 171421142
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
N-(4-dibenzofuran-1-ylphenyl)-N-methyl-4-phenylaniline
CID 167230878
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 164831812
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 174297045

Frequently Asked Questions

What is the IUPAC name of methyl 2-dibenzofuran-1-yl-5-phenylbenzoate?
The IUPAC name of methyl 2-dibenzofuran-1-yl-5-phenylbenzoate (CID 154647061) is methyl 2-dibenzofuran-1-yl-5-phenylbenzoate.
What is the SMILES notation for methyl 2-dibenzofuran-1-yl-5-phenylbenzoate?
The canonical SMILES for methyl 2-dibenzofuran-1-yl-5-phenylbenzoate is COC(=O)c1cc(-c2ccccc2)ccc1-c1cccc2oc3ccccc3c12.
What is the InChIKey of methyl 2-dibenzofuran-1-yl-5-phenylbenzoate?
The InChIKey is OAHYFHSDOYATCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O3/c1-28-26(27)22-16-18(17-8-3-2-4-9-17)14-15-19(22)20-11-7-13-24-25(20)21-10-5-6-12-23(21)29-24/h2-16H,1H3.
What are the key properties of methyl 2-dibenzofuran-1-yl-5-phenylbenzoate?
methyl 2-dibenzofuran-1-yl-5-phenylbenzoate has a molecular weight of 378.43 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-dibenzofuran-1-yl-5-phenylbenzoate is sourced from PubChem (CID 154647061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).