diphenyl naphthalene-1,6-dicarboxylate

C24H16O4 — CID 66591582

IUPACdiphenyl naphthalene-1,6-dicarboxylate
SMILESO=C(Oc1ccccc1)c1ccc2c(C(=O)Oc3ccccc3)cccc2c1
InChIInChI=1S/C24H16O4/c25-23(27-19-9-3-1-4-10-19)18-14-15-21-17(16-18)8-7-13-22(21)24(26)28-20-11-5-2-6-12-20/h1-16H
InChIKeyYKJBGNRVEAIWSO-UHFFFAOYSA-N
MW368.39 g/mol
LogP5.28
Rot. Bonds4

About diphenyl naphthalene-1,6-dicarboxylate

diphenyl naphthalene-1,6-dicarboxylate (PubChem CID 66591582) has the molecular formula C24H16O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is diphenyl naphthalene-1,6-dicarboxylate.

Molecular Properties

Compound Namediphenyl naphthalene-1,6-dicarboxylate
PubChem CID66591582
Molecular FormulaC24H16O4
Molecular Weight368.39 g/mol
Exact Mass368.10
IUPAC Namediphenyl naphthalene-1,6-dicarboxylate
SMILESO=C(Oc1ccccc1)c1ccc2c(C(=O)Oc3ccccc3)cccc2c1
InChIInChI=1S/C24H16O4/c25-23(27-19-9-3-1-4-10-19)18-14-15-21-17(16-18)8-7-13-22(21)24(26)28-20-11-5-2-6-12-20/h1-16H
InChIKeyYKJBGNRVEAIWSO-UHFFFAOYSA-N
XLogP5.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid
CID 57085233
dimethyl naphthalene-1,6-dicarboxylate
CID 11459190
phenyl 6-hydroxynaphthalene-2-carboxylate
CID 18762076
naphthalene-2-carbonyl 5-[6-(naphthalene-1-carbonyloxycarbonyl)naphthalen-1-yl]naphthalene-2-carboxylate
CID 142058643
phenyl 6-(2-naphthalen-2-ylethynyl)naphthalene-2-carboxylate
CID 20724491
phenyl 5-hydroxynaphthalene-1-carboxylate
CID 19766520
diphenyl 2-benzoylbenzene-1,4-dicarboxylate
CID 71318917
diphenyl 2-phenylbenzene-1,4-dicarboxylate
CID 67591432
phenyl 8-hydroxynaphthalene-1-carboxylate
CID 67908081
2-phenoxy-3-phenoxycarbonylbenzoic acid
CID 141175877
(3-aminophenyl) naphthalene-2-carboxylate
CID 22761549
anthracen-1-yl naphthalene-2-carboxylate
CID 151830595

Frequently Asked Questions

What is the IUPAC name of diphenyl naphthalene-1,6-dicarboxylate?
The IUPAC name of diphenyl naphthalene-1,6-dicarboxylate (CID 66591582) is diphenyl naphthalene-1,6-dicarboxylate.
What is the SMILES notation for diphenyl naphthalene-1,6-dicarboxylate?
The canonical SMILES for diphenyl naphthalene-1,6-dicarboxylate is O=C(Oc1ccccc1)c1ccc2c(C(=O)Oc3ccccc3)cccc2c1.
What is the InChIKey of diphenyl naphthalene-1,6-dicarboxylate?
The InChIKey is YKJBGNRVEAIWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O4/c25-23(27-19-9-3-1-4-10-19)18-14-15-21-17(16-18)8-7-13-22(21)24(26)28-20-11-5-2-6-12-20/h1-16H.
What are the key properties of diphenyl naphthalene-1,6-dicarboxylate?
diphenyl naphthalene-1,6-dicarboxylate has a molecular weight of 368.39 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl naphthalene-1,6-dicarboxylate is sourced from PubChem (CID 66591582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).