disodium;4,5-diphenylphthalate

C20H12Na2O4 — CID 134868371

IUPACdisodium;4,5-diphenylphthalate
SMILESO=C([O-])c1cc(-c2ccccc2)c(-c2ccccc2)cc1C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C20H14O4.2Na/c21-19(22)17-11-15(13-7-3-1-4-8-13)16(12-18(17)20(23)24)14-9-5-2-6-10-14;;/h1-12H,(H,21,22)(H,23,24);;/q;2*+1/p-2
InChIKeyVNNWFOANVOKUGK-UHFFFAOYSA-L
MW362.29 g/mol
LogP-4.24
Rot. Bonds4

About disodium;4,5-diphenylphthalate

disodium;4,5-diphenylphthalate (PubChem CID 134868371) has the molecular formula C20H12Na2O4 and a molecular weight of 362.29 g/mol. Its IUPAC name is disodium;4,5-diphenylphthalate.

Molecular Properties

Compound Namedisodium;4,5-diphenylphthalate
PubChem CID134868371
Molecular FormulaC20H12Na2O4
Molecular Weight362.29 g/mol
Exact Mass362.05
IUPAC Namedisodium;4,5-diphenylphthalate
SMILESO=C([O-])c1cc(-c2ccccc2)c(-c2ccccc2)cc1C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C20H14O4.2Na/c21-19(22)17-11-15(13-7-3-1-4-8-13)16(12-18(17)20(23)24)14-9-5-2-6-10-14;;/h1-12H,(H,21,22)(H,23,24);;/q;2*+1/p-2
InChIKeyVNNWFOANVOKUGK-UHFFFAOYSA-L
XLogP-4.24
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 5-4.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

disodium;4-phenylphthalate
CID 134868344
azulene-1,3-dicarboxylate
CID 140764257
potassium 4-hydroxy-2-phenylbenzoate
CID 69113981
sodium 2,4,5-tricarboxybenzoate
CID 100958061
4-phenylthiophene-3-carboxylate
CID 6974416
4-(4-carboxylato-3-phenylphenoxy)-2-phenylbenzoate
CID 21441388
pentasodium;benzene-1,2,4,5-tetracarboxylate;pentakis(benzene-1,2,4,5-tetracarboxylic acid);benzoate
CID 173357348
dilithium;3-phenylphthalate
CID 130387255
barium(2+);3-phenylphthalate
CID 141391844
sodium;hydrogen carbonate;2-phenylphenol
CID 175078237
disodium;hydron;phthalate
CID 23089010
tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate
CID 139073121

Frequently Asked Questions

What is the IUPAC name of disodium;4,5-diphenylphthalate?
The IUPAC name of disodium;4,5-diphenylphthalate (CID 134868371) is disodium;4,5-diphenylphthalate.
What is the SMILES notation for disodium;4,5-diphenylphthalate?
The canonical SMILES for disodium;4,5-diphenylphthalate is O=C([O-])c1cc(-c2ccccc2)c(-c2ccccc2)cc1C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;4,5-diphenylphthalate?
The InChIKey is VNNWFOANVOKUGK-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H14O4.2Na/c21-19(22)17-11-15(13-7-3-1-4-8-13)16(12-18(17)20(23)24)14-9-5-2-6-10-14;;/h1-12H,(H,21,22)(H,23,24);;/q;2*+1/p-2.
What are the key properties of disodium;4,5-diphenylphthalate?
disodium;4,5-diphenylphthalate has a molecular weight of 362.29 g/mol, XLogP of -4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4,5-diphenylphthalate is sourced from PubChem (CID 134868371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).