1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium)

C30H36N2O4 — CID 139198087

IUPAC1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium)
SMILESCC[NH2+]CC.CC[NH2+]CC.O=C([O-])c1ccc2ccccc2c1-c1c(C(=O)[O-])ccc2ccccc12
InChIInChI=1S/C22H14O4.2C4H11N/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26;2*1-3-5-4-2/h1-12H,(H,23,24)(H,25,26);2*5H,3-4H2,1-2H3
InChIKeyLXPAPVARMIDBHD-UHFFFAOYSA-N
MW488.63 g/mol
LogP1.57
Rot. Bonds7

About 1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium)

1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium) (PubChem CID 139198087) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is 1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium).

Molecular Properties

Compound Name1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium)
PubChem CID139198087
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC Name1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium)
SMILESCC[NH2+]CC.CC[NH2+]CC.O=C([O-])c1ccc2ccccc2c1-c1c(C(=O)[O-])ccc2ccccc12
InChIInChI=1S/C22H14O4.2C4H11N/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26;2*1-3-5-4-2/h1-12H,(H,23,24)(H,25,26);2*5H,3-4H2,1-2H3
InChIKeyLXPAPVARMIDBHD-UHFFFAOYSA-N
XLogP1.57
TPSA113.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,2S)-2-azaniumyl-1,2-diphenylethyl]azanium;1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(pentan-1-ol)
CID 139180337
calcium bis(1-hydroxynaphthalene-2-carboxylate)
CID 139716025
bis(iron(3+));tris(naphthalene-1,2-dicarboxylate)
CID 67068173
dipotassium;naphthalene-1,4-dicarboxylate
CID 101297429
tris(naphthalene-1-carboxylate);octyltin(3+)
CID 159919940
2-hydroxyethyl(methyl)azanium;naphthalene-1-carboxylate
CID 159149484
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
bis(1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid);bis(1,4-dioxane)
CID 139146760
1-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 101266046
magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate
CID 22987477
[1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone
CID 3948314
1-ethylnaphthalene-2-carboxylic acid
CID 22762218

Frequently Asked Questions

What is the IUPAC name of 1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium)?
The IUPAC name of 1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium) (CID 139198087) is 1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium).
What is the SMILES notation for 1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium)?
The canonical SMILES for 1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium) is CC[NH2+]CC.CC[NH2+]CC.O=C([O-])c1ccc2ccccc2c1-c1c(C(=O)[O-])ccc2ccccc12.
What is the InChIKey of 1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium)?
The InChIKey is LXPAPVARMIDBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O4.2C4H11N/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26;2*1-3-5-4-2/h1-12H,(H,23,24)(H,25,26);2*5H,3-4H2,1-2H3.
What are the key properties of 1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium)?
1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium) has a molecular weight of 488.63 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium) is sourced from PubChem (CID 139198087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).