2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid

C26H19O3PS — CID 87498654

IUPAC2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1P(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C26H19O3PS/c27-31(28,29)26-12-6-5-11-25(26)30(23-15-13-19-7-1-3-9-21(19)17-23)24-16-14-20-8-2-4-10-22(20)18-24/h1-18H,(H,27,28,29)
InChIKeyVZUONTGHHLGTTF-UHFFFAOYSA-N
MW442.48 g/mol
LogP5.00
Rot. Bonds4

About 2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid

2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid (PubChem CID 87498654) has the molecular formula C26H19O3PS and a molecular weight of 442.48 g/mol. Its IUPAC name is 2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid.

Molecular Properties

Compound Name2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid
PubChem CID87498654
Molecular FormulaC26H19O3PS
Molecular Weight442.48 g/mol
Exact Mass442.08
IUPAC Name2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1P(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C26H19O3PS/c27-31(28,29)26-12-6-5-11-25(26)30(23-15-13-19-7-1-3-9-21(19)17-23)24-16-14-20-8-2-4-10-22(20)18-24/h1-18H,(H,27,28,29)
InChIKeyVZUONTGHHLGTTF-UHFFFAOYSA-N
XLogP5.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bis(3,5-ditert-butylphenyl)phosphanylbenzenesulfonic acid
CID 59676295
3-diphenylphosphanylbenzene-1,2-disulfonic acid
CID 150435100
2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel
CID 174928340
2-[2-bis(2-sulfophenyl)phosphanylethyl-(2-sulfophenyl)phosphanyl]benzenesulfonic acid
CID 19368965
2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium
CID 175338229
naphthalene-2-sulfonic acid
CID 8420
anthracene-1-sulfonic acid;hydrofluoride
CID 174515955
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 87246277
CID 87246277
CID 88530425
CID 88530425
naphthalene;sulfuric acid
CID 69493753
Dispersing Agent NNO
CID 156594502

Frequently Asked Questions

What is the IUPAC name of 2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid?
The IUPAC name of 2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid (CID 87498654) is 2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid.
What is the SMILES notation for 2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid?
The canonical SMILES for 2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid is O=S(=O)(O)c1ccccc1P(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid?
The InChIKey is VZUONTGHHLGTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19O3PS/c27-31(28,29)26-12-6-5-11-25(26)30(23-15-13-19-7-1-3-9-21(19)17-23)24-16-14-20-8-2-4-10-22(20)18-24/h1-18H,(H,27,28,29).
What are the key properties of 2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid?
2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid has a molecular weight of 442.48 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid is sourced from PubChem (CID 87498654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).