(2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate

C36H24O4 — CID 134263039

IUPAC(2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate
SMILESO=C(OC(=C(OC(=O)c1ccccc1)c1ccc2ccccc2c1)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C36H24O4/c37-35(27-13-3-1-4-14-27)39-33(31-21-19-25-11-7-9-17-29(25)23-31)34(40-36(38)28-15-5-2-6-16-28)32-22-20-26-12-8-10-18-30(26)24-32/h1-24H
InChIKeyWRVUGBSGQRGUBP-UHFFFAOYSA-N
MW520.58 g/mol
LogP8.53
Rot. Bonds6

About (2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate

(2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate (PubChem CID 134263039) has the molecular formula C36H24O4 and a molecular weight of 520.58 g/mol. Its IUPAC name is (2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate.

Molecular Properties

Compound Name(2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate
PubChem CID134263039
Molecular FormulaC36H24O4
Molecular Weight520.58 g/mol
Exact Mass520.17
IUPAC Name(2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate
SMILESO=C(OC(=C(OC(=O)c1ccccc1)c1ccc2ccccc2c1)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C36H24O4/c37-35(27-13-3-1-4-14-27)39-33(31-21-19-25-11-7-9-17-29(25)23-31)34(40-36(38)28-15-5-2-6-16-28)32-22-20-26-12-8-10-18-30(26)24-32/h1-24H
InChIKeyWRVUGBSGQRGUBP-UHFFFAOYSA-N
XLogP8.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.58
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
naphthalene-2-carboxylic acid
CID 175967775
[(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate
CID 122517190
propanoyl naphthalene-2-carboxylate
CID 118192395
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
[(E)-1-naphthalen-2-ylethylideneamino] benzoate
CID 18602824
dinaphthalen-2-ylmethanone
CID 10945915
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
ethane;methyl naphthalene-2-carboxylate
CID 143895262
2-naphthalen-2-yl-2-oxoacetyl chloride
CID 19347531
(1-phenylethylideneamino) naphthalene-2-carboxylate
CID 76708666

Frequently Asked Questions

What is the IUPAC name of (2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate?
The IUPAC name of (2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate (CID 134263039) is (2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate.
What is the SMILES notation for (2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate?
The canonical SMILES for (2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate is O=C(OC(=C(OC(=O)c1ccccc1)c1ccc2ccccc2c1)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of (2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate?
The InChIKey is WRVUGBSGQRGUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O4/c37-35(27-13-3-1-4-14-27)39-33(31-21-19-25-11-7-9-17-29(25)23-31)34(40-36(38)28-15-5-2-6-16-28)32-22-20-26-12-8-10-18-30(26)24-32/h1-24H.
What are the key properties of (2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate?
(2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate has a molecular weight of 520.58 g/mol, XLogP of 8.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate is sourced from PubChem (CID 134263039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).