6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid

C36H24O6 — CID 134394156

IUPAC6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid
SMILESO=COc1ccc2cc(Oc3ccc(/C=C/c4ccc(Oc5ccc6cc(C(=O)O)ccc6c5)cc4)cc3)ccc2c1
InChIInChI=1S/C36H24O6/c37-23-40-33-16-9-29-22-35(18-11-28(29)20-33)42-32-14-5-25(6-15-32)2-1-24-3-12-31(13-4-24)41-34-17-10-26-19-30(36(38)39)8-7-27(26)21-34/h1-23H,(H,38,39)/b2-1+
InChIKeyOKCSJALWWADVES-OWOJBTEDSA-N
MW552.58 g/mol
LogP8.98
Rot. Bonds9

About 6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid

6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid (PubChem CID 134394156) has the molecular formula C36H24O6 and a molecular weight of 552.58 g/mol. Its IUPAC name is 6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid
PubChem CID134394156
Molecular FormulaC36H24O6
Molecular Weight552.58 g/mol
Exact Mass552.16
IUPAC Name6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid
SMILESO=COc1ccc2cc(Oc3ccc(/C=C/c4ccc(Oc5ccc6cc(C(=O)O)ccc6c5)cc4)cc3)ccc2c1
InChIInChI=1S/C36H24O6/c37-23-40-33-16-9-29-22-35(18-11-28(29)20-33)42-32-14-5-25(6-15-32)2-1-24-3-12-31(13-4-24)41-34-17-10-26-19-30(36(38)39)8-7-27(26)21-34/h1-23H,(H,38,39)/b2-1+
InChIKeyOKCSJALWWADVES-OWOJBTEDSA-N
XLogP8.98
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.58
LogP ≤ 58.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid 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

6-[4-[(E)-2-[4-(6,7-diisocyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile;6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid;2-[6-[4-[(E)-2-[4-[6-(2-hydroxyethyl)naphthalen-2-yl]oxyphenyl]ethenyl]phenoxy]naphthalen-2-yl]ethanol
CID 161363769
4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid
CID 86184285
5-[(6-formyloxy-2-hydroxynaphthalen-1-yl)methyl]-6-hydroxynaphthalene-2-carboxylic acid
CID 166589858
6-prop-1-enoxynaphthalene-2-carboxylic acid
CID 57123185
7-formyloxy-9-oxofluorene-2-carboxylic acid
CID 58307545
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
CID 67200510
CID 67200510
4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
CID 67828586
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
6-[4-(6-carboxynaphthalen-2-yl)oxybut-3-enoxy]naphthalene-2-carboxylic acid
CID 162690447
5-[2-[4-[2-(3,5-dicarboxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,3-dicarboxylic acid
CID 5246292

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid (CID 134394156) is 6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid is O=COc1ccc2cc(Oc3ccc(/C=C/c4ccc(Oc5ccc6cc(C(=O)O)ccc6c5)cc4)cc3)ccc2c1.
What is the InChIKey of 6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid?
The InChIKey is OKCSJALWWADVES-OWOJBTEDSA-N. The full InChI is InChI=1S/C36H24O6/c37-23-40-33-16-9-29-22-35(18-11-28(29)20-33)42-32-14-5-25(6-15-32)2-1-24-3-12-31(13-4-24)41-34-17-10-26-19-30(36(38)39)8-7-27(26)21-34/h1-23H,(H,38,39)/b2-1+.
What are the key properties of 6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid?
6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid has a molecular weight of 552.58 g/mol, XLogP of 8.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 134394156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).