1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid

C24H18O4 — CID 146503984

IUPAC1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid
SMILESO=C(O)C1C=C(c2ccccc2)c2ccccc2C1(C(=O)O)c1ccccc1
InChIInChI=1S/C24H18O4/c25-22(26)21-15-19(16-9-3-1-4-10-16)18-13-7-8-14-20(18)24(21,23(27)28)17-11-5-2-6-12-17/h1-15,21H,(H,25,26)(H,27,28)
InChIKeyOLYGIKNDPGHPPM-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.20
Rot. Bonds4

About 1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid

1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid (PubChem CID 146503984) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is 1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid
PubChem CID146503984
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid
SMILESO=C(O)C1C=C(c2ccccc2)c2ccccc2C1(C(=O)O)c1ccccc1
InChIInChI=1S/C24H18O4/c25-22(26)21-15-19(16-9-3-1-4-10-16)18-13-7-8-14-20(18)24(21,23(27)28)17-11-5-2-6-12-17/h1-15,21H,(H,25,26)(H,27,28)
InChIKeyOLYGIKNDPGHPPM-UHFFFAOYSA-N
XLogP4.20
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid
CID 24972595
1-methyl-1,3-diphenylindene
CID 11977257
4-chloro-6-hydroxy-6-(hydroxymethyl)-3-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 174952429
1,3-diphenyl-1-(trifluoromethyl)indene
CID 137346219
1-phenylcyclobutane-1,2,3,4-tetracarboxylic acid
CID 139715001
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
sodium;hydrogen carbonate;2-phenylphenol
CID 175078237
1,4-dihydroxy-1-methyl-2H-naphthalene-2-carboxylate
CID 18402685
oxalic acid;2-phenylphenol
CID 162319962
CID 87518738
CID 87518738
(2S,6R,8S,9Z)-2,5,8-trimethyl-4,10-diphenyltricyclo[9.4.0.02,6]pentadeca-1(15),4,9,11,13-pentaene-3,7-dione
CID 101372725

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid?
The IUPAC name of 1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid (CID 146503984) is 1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid.
What is the SMILES notation for 1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid?
The canonical SMILES for 1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid is O=C(O)C1C=C(c2ccccc2)c2ccccc2C1(C(=O)O)c1ccccc1.
What is the InChIKey of 1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid?
The InChIKey is OLYGIKNDPGHPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4/c25-22(26)21-15-19(16-9-3-1-4-10-16)18-13-7-8-14-20(18)24(21,23(27)28)17-11-5-2-6-12-17/h1-15,21H,(H,25,26)(H,27,28).
What are the key properties of 1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid?
1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid has a molecular weight of 370.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid is sourced from PubChem (CID 146503984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).