1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid

C23H14O3 — CID 146645135

IUPAC1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C23H14O3/c24-23(25)19-13-12-14-6-1-2-7-15(14)21(19)18-10-5-9-17-16-8-3-4-11-20(16)26-22(17)18/h1-13H,(H,24,25)
InChIKeyHEAQUYSUQWZIBJ-UHFFFAOYSA-N
MW338.36 g/mol
LogP6.10
Rot. Bonds2

About 1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid

1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid (PubChem CID 146645135) has the molecular formula C23H14O3 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid
PubChem CID146645135
Molecular FormulaC23H14O3
Molecular Weight338.36 g/mol
Exact Mass338.09
IUPAC Name1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C23H14O3/c24-23(25)19-13-12-14-6-1-2-7-15(14)21(19)18-10-5-9-17-16-8-3-4-11-20(16)26-22(17)18/h1-13H,(H,24,25)
InChIKeyHEAQUYSUQWZIBJ-UHFFFAOYSA-N
XLogP6.10
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.36
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-anthracen-9-yldibenzofuran
CID 167187282
5-bromo-2-dibenzofuran-4-ylbenzoic acid
CID 122634670
4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 88910037
8-anthracen-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 170654328
4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 153436636
2-(10-dibenzofuran-4-ylanthracen-9-yl)benzo[g][1]benzofuran
CID 174306733
4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran
CID 155334125
8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid
CID 175733393
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442228
8-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 174289652
2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 155481375
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 158958080

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid?
The IUPAC name of 1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid (CID 146645135) is 1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid?
The canonical SMILES for 1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid is O=C(O)c1ccc2ccccc2c1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid?
The InChIKey is HEAQUYSUQWZIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O3/c24-23(25)19-13-12-14-6-1-2-7-15(14)21(19)18-10-5-9-17-16-8-3-4-11-20(16)26-22(17)18/h1-13H,(H,24,25).
What are the key properties of 1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid?
1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 6.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 146645135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).