6-phenylphenanthridine-8-sulfonic acid

C19H13NO3S — CID 88948296

IUPAC6-phenylphenanthridine-8-sulfonic acid
SMILESO=S(=O)(O)c1ccc2c(c1)c(-c1ccccc1)nc1ccccc12
InChIInChI=1S/C19H13NO3S/c21-24(22,23)14-10-11-15-16-8-4-5-9-18(16)20-19(17(15)12-14)13-6-2-1-3-7-13/h1-12H,(H,21,22,23)
InChIKeyBYMGUPFWXXEPCV-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.30
Rot. Bonds2

About 6-phenylphenanthridine-8-sulfonic acid

6-phenylphenanthridine-8-sulfonic acid (PubChem CID 88948296) has the molecular formula C19H13NO3S and a molecular weight of 335.38 g/mol. Its IUPAC name is 6-phenylphenanthridine-8-sulfonic acid.

Molecular Properties

Compound Name6-phenylphenanthridine-8-sulfonic acid
PubChem CID88948296
Molecular FormulaC19H13NO3S
Molecular Weight335.38 g/mol
Exact Mass335.06
IUPAC Name6-phenylphenanthridine-8-sulfonic acid
SMILESO=S(=O)(O)c1ccc2c(c1)c(-c1ccccc1)nc1ccccc12
InChIInChI=1S/C19H13NO3S/c21-24(22,23)14-10-11-15-16-8-4-5-9-18(16)20-19(17(15)12-14)13-6-2-1-3-7-13/h1-12H,(H,21,22,23)
InChIKeyBYMGUPFWXXEPCV-UHFFFAOYSA-N
XLogP4.30
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-phenylphenanthridine-8-sulfonic acid?
The IUPAC name of 6-phenylphenanthridine-8-sulfonic acid (CID 88948296) is 6-phenylphenanthridine-8-sulfonic acid.
What is the SMILES notation for 6-phenylphenanthridine-8-sulfonic acid?
The canonical SMILES for 6-phenylphenanthridine-8-sulfonic acid is O=S(=O)(O)c1ccc2c(c1)c(-c1ccccc1)nc1ccccc12.
What is the InChIKey of 6-phenylphenanthridine-8-sulfonic acid?
The InChIKey is BYMGUPFWXXEPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3S/c21-24(22,23)14-10-11-15-16-8-4-5-9-18(16)20-19(17(15)12-14)13-6-2-1-3-7-13/h1-12H,(H,21,22,23).
What are the key properties of 6-phenylphenanthridine-8-sulfonic acid?
6-phenylphenanthridine-8-sulfonic acid has a molecular weight of 335.38 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylphenanthridine-8-sulfonic acid is sourced from PubChem (CID 88948296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).