3-phenyl-1,7-phenanthroline-2-carboxylic acid

C19H12N2O2 — CID 69046616

IUPAC3-phenyl-1,7-phenanthroline-2-carboxylic acid
SMILESO=C(O)c1nc2c(ccc3ncccc32)cc1-c1ccccc1
InChIInChI=1S/C19H12N2O2/c22-19(23)18-15(12-5-2-1-3-6-12)11-13-8-9-16-14(17(13)21-18)7-4-10-20-16/h1-11H,(H,22,23)
InChIKeyNTJIMBYZLMOXDR-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.15
Rot. Bonds2

About 3-phenyl-1,7-phenanthroline-2-carboxylic acid

3-phenyl-1,7-phenanthroline-2-carboxylic acid (PubChem CID 69046616) has the molecular formula C19H12N2O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-phenyl-1,7-phenanthroline-2-carboxylic acid.

Molecular Properties

Compound Name3-phenyl-1,7-phenanthroline-2-carboxylic acid
PubChem CID69046616
Molecular FormulaC19H12N2O2
Molecular Weight300.32 g/mol
Exact Mass300.09
IUPAC Name3-phenyl-1,7-phenanthroline-2-carboxylic acid
SMILESO=C(O)c1nc2c(ccc3ncccc32)cc1-c1ccccc1
InChIInChI=1S/C19H12N2O2/c22-19(23)18-15(12-5-2-1-3-6-12)11-13-8-9-16-14(17(13)21-18)7-4-10-20-16/h1-11H,(H,22,23)
InChIKeyNTJIMBYZLMOXDR-UHFFFAOYSA-N
XLogP4.15
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,3-diphenyl-1,7-phenanthroline;terbium
CID 174908963
3-phenylquinoline-2,8-dicarboxylic acid
CID 15456153
3-phenylpyridine-2-carboxylic acid
CID 2762789
3-phenylpyrido[2,3-h][1,2,4]benzotriazine
CID 10988953
2-acetyl-1,7-phenanthroline-4-carboxylic acid
CID 175126800
methanol;1,7-phenanthroline
CID 174496893
CID 175088616
CID 175088616
benzo[b][1,7]phenanthrolin-10-amine
CID 10332108
2H-pyrido[2,3-h]cinnolin-3-one
CID 70280664
3-methyl-1,7-phenanthrolin-2-amine
CID 63231728
1,7-phenanthroline;vanadium
CID 174318955
1,7-phenanthroline;dihydrochloride
CID 174688507

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,7-phenanthroline-2-carboxylic acid?
The IUPAC name of 3-phenyl-1,7-phenanthroline-2-carboxylic acid (CID 69046616) is 3-phenyl-1,7-phenanthroline-2-carboxylic acid.
What is the SMILES notation for 3-phenyl-1,7-phenanthroline-2-carboxylic acid?
The canonical SMILES for 3-phenyl-1,7-phenanthroline-2-carboxylic acid is O=C(O)c1nc2c(ccc3ncccc32)cc1-c1ccccc1.
What is the InChIKey of 3-phenyl-1,7-phenanthroline-2-carboxylic acid?
The InChIKey is NTJIMBYZLMOXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2/c22-19(23)18-15(12-5-2-1-3-6-12)11-13-8-9-16-14(17(13)21-18)7-4-10-20-16/h1-11H,(H,22,23).
What are the key properties of 3-phenyl-1,7-phenanthroline-2-carboxylic acid?
3-phenyl-1,7-phenanthroline-2-carboxylic acid has a molecular weight of 300.32 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,7-phenanthroline-2-carboxylic acid is sourced from PubChem (CID 69046616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).