2-phenyl-1,7-phenanthroline-6-sulfonic acid

C18H12N2O3S — CID 154222827

IUPAC2-phenyl-1,7-phenanthroline-6-sulfonic acid
SMILESO=S(=O)(O)c1cc2ccc(-c3ccccc3)nc2c2cccnc12
InChIInChI=1S/C18H12N2O3S/c21-24(22,23)16-11-13-8-9-15(12-5-2-1-3-6-12)20-17(13)14-7-4-10-19-18(14)16/h1-11H,(H,21,22,23)
InChIKeyJDEUTQGSYSJMHJ-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.70
Rot. Bonds2

About 2-phenyl-1,7-phenanthroline-6-sulfonic acid

2-phenyl-1,7-phenanthroline-6-sulfonic acid (PubChem CID 154222827) has the molecular formula C18H12N2O3S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-phenyl-1,7-phenanthroline-6-sulfonic acid.

Molecular Properties

Compound Name2-phenyl-1,7-phenanthroline-6-sulfonic acid
PubChem CID154222827
Molecular FormulaC18H12N2O3S
Molecular Weight336.37 g/mol
Exact Mass336.06
IUPAC Name2-phenyl-1,7-phenanthroline-6-sulfonic acid
SMILESO=S(=O)(O)c1cc2ccc(-c3ccccc3)nc2c2cccnc12
InChIInChI=1S/C18H12N2O3S/c21-24(22,23)16-11-13-8-9-15(12-5-2-1-3-6-12)20-17(13)14-7-4-10-19-18(14)16/h1-11H,(H,21,22,23)
InChIKeyJDEUTQGSYSJMHJ-UHFFFAOYSA-N
XLogP3.70
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-phenyl-1,7-phenanthroline-6-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-phenylbenzo[f][4,7]phenanthroline
CID 169052915
phenyl 9-[3-(6-phenoxycarbonyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline-5-carboxylate
CID 118448725
4-phenylpyrimidine-2-sulfonic acid
CID 140969909
2-[4-(1,3-diphenylbenzo[f]quinolin-5-yl)phenyl]-1,10-phenanthroline
CID 166568699
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-1,10-phenanthroline
CID 142752631
2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
CID 146474012
iridium;2-phenylbenzo[h]quinoline
CID 175438986
2-[3-(1,3-diphenylbenzo[f]quinolin-5-yl)phenyl]-1,10-phenanthroline
CID 166568774
6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 158047088
2-[3-(10-phenylanthracen-9-yl)-5-(4-pyrimidin-2-ylphenyl)phenyl]-1,10-phenanthroline
CID 142588778
5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780633
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,7-phenanthroline-6-sulfonic acid?
The IUPAC name of 2-phenyl-1,7-phenanthroline-6-sulfonic acid (CID 154222827) is 2-phenyl-1,7-phenanthroline-6-sulfonic acid.
What is the SMILES notation for 2-phenyl-1,7-phenanthroline-6-sulfonic acid?
The canonical SMILES for 2-phenyl-1,7-phenanthroline-6-sulfonic acid is O=S(=O)(O)c1cc2ccc(-c3ccccc3)nc2c2cccnc12.
What is the InChIKey of 2-phenyl-1,7-phenanthroline-6-sulfonic acid?
The InChIKey is JDEUTQGSYSJMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3S/c21-24(22,23)16-11-13-8-9-15(12-5-2-1-3-6-12)20-17(13)14-7-4-10-19-18(14)16/h1-11H,(H,21,22,23).
What are the key properties of 2-phenyl-1,7-phenanthroline-6-sulfonic acid?
2-phenyl-1,7-phenanthroline-6-sulfonic acid has a molecular weight of 336.37 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,7-phenanthroline-6-sulfonic acid is sourced from PubChem (CID 154222827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).