8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid

C32H20O4 — CID 175733393

IUPAC8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cccc(-c3ccc4ccccc4c3-c3cccc4cccc(C(=O)O)c34)c12
InChIInChI=1S/C32H20O4/c33-31(34)26-15-5-10-20-8-3-13-23(28(20)26)24-18-17-19-7-1-2-12-22(19)30(24)25-14-4-9-21-11-6-16-27(29(21)25)32(35)36/h1-18H,(H,33,34)(H,35,36)
InChIKeySGSCYJINVFSTRX-UHFFFAOYSA-N
MW468.51 g/mol
LogP7.88
Rot. Bonds4

About 8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid

8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid (PubChem CID 175733393) has the molecular formula C32H20O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is 8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid
PubChem CID175733393
Molecular FormulaC32H20O4
Molecular Weight468.51 g/mol
Exact Mass468.14
IUPAC Name8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cccc(-c3ccc4ccccc4c3-c3cccc4cccc(C(=O)O)c34)c12
InChIInChI=1S/C32H20O4/c33-31(34)26-15-5-10-20-8-3-13-23(28(20)26)24-18-17-19-7-1-2-12-22(19)30(24)25-14-4-9-21-11-6-16-27(29(21)25)32(35)36/h1-18H,(H,33,34)(H,35,36)
InChIKeySGSCYJINVFSTRX-UHFFFAOYSA-N
XLogP7.88
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
15-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene
CID 140872789
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
benzo[k]fluoranthene-7,12-dicarboxylic acid
CID 170873622
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
2-(1-aminonaphthalen-2-yl)benzoic acid
CID 21398858
1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene
CID 166133840
1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid
CID 146645135
1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
CID 139892613
10-(10-carboxy-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-8-yl)-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid;perylene
CID 87318965
2-hydroxy-3-phenanthren-3-ylbenzoic acid
CID 174782186
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963

Frequently Asked Questions

What is the IUPAC name of 8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid?
The IUPAC name of 8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid (CID 175733393) is 8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid?
The canonical SMILES for 8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid is O=C(O)c1cccc2cccc(-c3ccc4ccccc4c3-c3cccc4cccc(C(=O)O)c34)c12.
What is the InChIKey of 8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid?
The InChIKey is SGSCYJINVFSTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20O4/c33-31(34)26-15-5-10-20-8-3-13-23(28(20)26)24-18-17-19-7-1-2-12-22(19)30(24)25-14-4-9-21-11-6-16-27(29(21)25)32(35)36/h1-18H,(H,33,34)(H,35,36).
What are the key properties of 8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid?
8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid has a molecular weight of 468.51 g/mol, XLogP of 7.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 175733393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).