[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate

C36H24O4 — CID 134263043

IUPAC[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate
SMILESO=C(O/C(=C(/OC(=O)c1cccc2ccccc12)c1ccccc1)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C36H24O4/c37-35(31-23-11-19-25-13-7-9-21-29(25)31)39-33(27-15-3-1-4-16-27)34(28-17-5-2-6-18-28)40-36(38)32-24-12-20-26-14-8-10-22-30(26)32/h1-24H/b34-33+
InChIKeyVUJBUJGYZRDSTJ-JEIPZWNWSA-N
MW520.58 g/mol
LogP8.53
Rot. Bonds6

About [(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate

[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate (PubChem CID 134263043) has the molecular formula C36H24O4 and a molecular weight of 520.58 g/mol. Its IUPAC name is [(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate
PubChem CID134263043
Molecular FormulaC36H24O4
Molecular Weight520.58 g/mol
Exact Mass520.17
IUPAC Name[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate
SMILESO=C(O/C(=C(/OC(=O)c1cccc2ccccc12)c1ccccc1)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C36H24O4/c37-35(31-23-11-19-25-13-7-9-21-29(25)31)39-33(27-15-3-1-4-16-27)34(28-17-5-2-6-18-28)40-36(38)32-24-12-20-26-14-8-10-22-30(26)32/h1-24H/b34-33+
InChIKeyVUJBUJGYZRDSTJ-JEIPZWNWSA-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

(3-methylbenzoyl) naphthalene-1-carboxylate
CID 87635030
naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate
CID 174648773
bromo naphthalene-1-carboxylate
CID 68796403
(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate
CID 175286070
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
magnesium;hydride;naphthalene-1-carboperoxoic acid
CID 175368397
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
2-(naphthalene-1-carbonyloxy)benzoic acid
CID 54147008
1-O-(4-ethenylbenzoyl) 2-O-(naphthalene-1-carbonyl) benzene-1,2-dicarboxylate
CID 88527095
(1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate
CID 175494849
naphthalene-2-carbonyl 5-[6-(naphthalene-1-carbonyloxycarbonyl)naphthalen-1-yl]naphthalene-2-carboxylate
CID 142058643

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate?
The IUPAC name of [(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate (CID 134263043) is [(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate.
What is the SMILES notation for [(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate?
The canonical SMILES for [(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate is O=C(O/C(=C(/OC(=O)c1cccc2ccccc12)c1ccccc1)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of [(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate?
The InChIKey is VUJBUJGYZRDSTJ-JEIPZWNWSA-N. The full InChI is InChI=1S/C36H24O4/c37-35(31-23-11-19-25-13-7-9-21-29(25)31)39-33(27-15-3-1-4-16-27)34(28-17-5-2-6-18-28)40-36(38)32-24-12-20-26-14-8-10-22-30(26)32/h1-24H/b34-33+.
What are the key properties of [(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate?
[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate 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 [(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate is sourced from PubChem (CID 134263043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).