tris(naphthalene-1-carboxylic acid);phosphane

C33H27O6P — CID 172834804

IUPACtris(naphthalene-1-carboxylic acid);phosphane
SMILESO=C(O)c1cccc2ccccc12.O=C(O)c1cccc2ccccc12.O=C(O)c1cccc2ccccc12.P
InChIInChI=1S/3C11H8O2.H3P/c3*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;/h3*1-7H,(H,12,13);1H3
InChIKeyVZUKODMYGHVWEJ-UHFFFAOYSA-N
MW550.55 g/mol
LogP7.67
Rot. Bonds3

About tris(naphthalene-1-carboxylic acid);phosphane

tris(naphthalene-1-carboxylic acid);phosphane (PubChem CID 172834804) has the molecular formula C33H27O6P and a molecular weight of 550.55 g/mol. Its IUPAC name is tris(naphthalene-1-carboxylic acid);phosphane.

Molecular Properties

Compound Nametris(naphthalene-1-carboxylic acid);phosphane
PubChem CID172834804
Molecular FormulaC33H27O6P
Molecular Weight550.55 g/mol
Exact Mass550.15
IUPAC Nametris(naphthalene-1-carboxylic acid);phosphane
SMILESO=C(O)c1cccc2ccccc12.O=C(O)c1cccc2ccccc12.O=C(O)c1cccc2ccccc12.P
InChIInChI=1S/3C11H8O2.H3P/c3*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;/h3*1-7H,(H,12,13);1H3
InChIKeyVZUKODMYGHVWEJ-UHFFFAOYSA-N
XLogP7.67
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.55
LogP ≤ 57.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tris(naphthalene-1-carboxylic acid);phosphane 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

methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
CID 70544806
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976
benzene-1,3-dicarboxylic acid;ethane-1,2-diol;naphthalene-1-carboxylic acid
CID 175531954
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylethanone
CID 174493325
naphthalene-1-carboxylate;tris(naphthalene-1-carboxylic acid);tetraphenylphosphanium
CID 172772010
2-(naphthalene-1-carbonyloxy)benzoic acid
CID 54147008
naphthalene;phthalic acid
CID 158069637
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
naphthalene-1-carbonyl iodide
CID 87393513

Frequently Asked Questions

What is the IUPAC name of tris(naphthalene-1-carboxylic acid);phosphane?
The IUPAC name of tris(naphthalene-1-carboxylic acid);phosphane (CID 172834804) is tris(naphthalene-1-carboxylic acid);phosphane.
What is the SMILES notation for tris(naphthalene-1-carboxylic acid);phosphane?
The canonical SMILES for tris(naphthalene-1-carboxylic acid);phosphane is O=C(O)c1cccc2ccccc12.O=C(O)c1cccc2ccccc12.O=C(O)c1cccc2ccccc12.P.
What is the InChIKey of tris(naphthalene-1-carboxylic acid);phosphane?
The InChIKey is VZUKODMYGHVWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H8O2.H3P/c3*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;/h3*1-7H,(H,12,13);1H3.
What are the key properties of tris(naphthalene-1-carboxylic acid);phosphane?
tris(naphthalene-1-carboxylic acid);phosphane has a molecular weight of 550.55 g/mol, XLogP of 7.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(naphthalene-1-carboxylic acid);phosphane is sourced from PubChem (CID 172834804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).