2-(naphtho[2,3-c]diazete-3-carbonyl)naphthalene-1-carboxylic acid

C22H12N2O3 — CID 139839787

IUPAC2-(naphtho[2,3-c]diazete-3-carbonyl)naphthalene-1-carboxylic acid
SMILESO=C(O)c1c(C(=O)c2c3c(cc4ccccc24)N=N3)ccc2ccccc12
InChIInChI=1S/C22H12N2O3/c25-21(16-10-9-12-5-1-3-7-14(12)18(16)22(26)27)19-15-8-4-2-6-13(15)11-17-20(19)24-23-17/h1-11H,(H,26,27)
InChIKeyQIRGARFODCIQLP-UHFFFAOYSA-N
MW352.35 g/mol
LogP5.65
Rot. Bonds3

About 2-(naphtho[2,3-c]diazete-3-carbonyl)naphthalene-1-carboxylic acid

2-(naphtho[2,3-c]diazete-3-carbonyl)naphthalene-1-carboxylic acid (PubChem CID 139839787) has the molecular formula C22H12N2O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-(naphtho[2,3-c]diazete-3-carbonyl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-(naphtho[2,3-c]diazete-3-carbonyl)naphthalene-1-carboxylic acid
PubChem CID139839787
Molecular FormulaC22H12N2O3
Molecular Weight352.35 g/mol
Exact Mass352.08
IUPAC Name2-(naphtho[2,3-c]diazete-3-carbonyl)naphthalene-1-carboxylic acid
SMILESO=C(O)c1c(C(=O)c2c3c(cc4ccccc24)N=N3)ccc2ccccc12
InChIInChI=1S/C22H12N2O3/c25-21(16-10-9-12-5-1-3-7-14(12)18(16)22(26)27)19-15-8-4-2-6-13(15)11-17-20(19)24-23-17/h1-11H,(H,26,27)
InChIKeyQIRGARFODCIQLP-UHFFFAOYSA-N
XLogP5.65
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.35
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalene-1,2-dicarboxylic acid;hydrate
CID 67377556
naphthalene-1,2-dicarboxylic acid;hydrochloride
CID 67387751
naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid
CID 158292853
hydrazine;naphthalene-1,2-dicarboxylic acid
CID 19968700
benzene-1,3-dicarboxylic acid;naphthalene-1,2-dicarboxylic acid;terephthalic acid
CID 157108272
naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
heptanedioic acid;naphthalene-1,2-dicarboxylic acid
CID 70413423
zinc;bis(1-carboxynaphthalen-2-olate);dihydrate
CID 54746329
anthracene-9-carboxylic acid;trichloro(ethyl)silane
CID 87654089
1H-imidazole;naphthalene-1,2-dicarboxylic acid
CID 69093080
2-(triazol-2-yl)naphthalene-1-carboxylic acid
CID 142790218
2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid
CID 163959565

Frequently Asked Questions

What is the IUPAC name of 2-(naphtho[2,3-c]diazete-3-carbonyl)naphthalene-1-carboxylic acid?
The IUPAC name of 2-(naphtho[2,3-c]diazete-3-carbonyl)naphthalene-1-carboxylic acid (CID 139839787) is 2-(naphtho[2,3-c]diazete-3-carbonyl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-(naphtho[2,3-c]diazete-3-carbonyl)naphthalene-1-carboxylic acid?
The canonical SMILES for 2-(naphtho[2,3-c]diazete-3-carbonyl)naphthalene-1-carboxylic acid is O=C(O)c1c(C(=O)c2c3c(cc4ccccc24)N=N3)ccc2ccccc12.
What is the InChIKey of 2-(naphtho[2,3-c]diazete-3-carbonyl)naphthalene-1-carboxylic acid?
The InChIKey is QIRGARFODCIQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N2O3/c25-21(16-10-9-12-5-1-3-7-14(12)18(16)22(26)27)19-15-8-4-2-6-13(15)11-17-20(19)24-23-17/h1-11H,(H,26,27).
What are the key properties of 2-(naphtho[2,3-c]diazete-3-carbonyl)naphthalene-1-carboxylic acid?
2-(naphtho[2,3-c]diazete-3-carbonyl)naphthalene-1-carboxylic acid has a molecular weight of 352.35 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphtho[2,3-c]diazete-3-carbonyl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 139839787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).