methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate

C24H16O2S — CID 141476210

IUPACmethyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C24H16O2S/c1-26-24(25)19-12-10-15-6-2-3-7-17(15)23(19)16-11-13-22-20(14-16)18-8-4-5-9-21(18)27-22/h2-14H,1H3
InChIKeyDZBNXXQXHWAXFA-UHFFFAOYSA-N
MW368.46 g/mol
LogP6.66
Rot. Bonds2

About methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate

methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate (PubChem CID 141476210) has the molecular formula C24H16O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate
PubChem CID141476210
Molecular FormulaC24H16O2S
Molecular Weight368.46 g/mol
Exact Mass368.09
IUPAC Namemethyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C24H16O2S/c1-26-24(25)19-12-10-15-6-2-3-7-17(15)23(19)16-11-13-22-20(14-16)18-8-4-5-9-21(18)27-22/h2-14H,1H3
InChIKeyDZBNXXQXHWAXFA-UHFFFAOYSA-N
XLogP6.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate?
The IUPAC name of methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate (CID 141476210) is methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate?
The canonical SMILES for methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate is COC(=O)c1ccc2ccccc2c1-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate?
The InChIKey is DZBNXXQXHWAXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O2S/c1-26-24(25)19-12-10-15-6-2-3-7-17(15)23(19)16-11-13-22-20(14-16)18-8-4-5-9-21(18)27-22/h2-14H,1H3.
What are the key properties of methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate?
methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate is sourced from PubChem (CID 141476210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).