(2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate)

C43H34O6Sn — CID 175018825

IUPAC(2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate)
SMILESCC(C)(C[Sn+3])c1ccccc1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1
InChIInChI=1S/3C11H8O2.C10H13.Sn/c3*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-10(2,3)9-7-5-4-6-8-9;/h3*1-7H,(H,12,13);4-8H,1H2,2-3H3;/q;;;;+3/p-3
InChIKeyHQQPMRGMOVKGCS-UHFFFAOYSA-K
MW765.45 g/mol
LogP6.16
Rot. Bonds5

About (2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate)

(2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate) (PubChem CID 175018825) has the molecular formula C43H34O6Sn and a molecular weight of 765.45 g/mol. Its IUPAC name is (2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate).

Molecular Properties

Compound Name(2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate)
PubChem CID175018825
Molecular FormulaC43H34O6Sn
Molecular Weight765.45 g/mol
Exact Mass766.14
IUPAC Name(2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate)
SMILESCC(C)(C[Sn+3])c1ccccc1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1
InChIInChI=1S/3C11H8O2.C10H13.Sn/c3*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-10(2,3)9-7-5-4-6-8-9;/h3*1-7H,(H,12,13);4-8H,1H2,2-3H3;/q;;;;+3/p-3
InChIKeyHQQPMRGMOVKGCS-UHFFFAOYSA-K
XLogP6.16
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.45
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate) 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

potassium naphthalene-2-carboxylate
CID 23664129
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
anthracene-2-carboxylate
CID 11160355
di(propan-2-yl)azanium;naphthalene-2-carboxylate
CID 21407073
naphthalene-2-carboxylic acid
CID 175967775
tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))
CID 175019109
magnesium naphthalene-2,6-dicarboxylate
CID 67200509
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid
CID 163647200
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
anthracene-2,6-dicarboxylate
CID 86309851

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate)?
The IUPAC name of (2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate) (CID 175018825) is (2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate).
What is the SMILES notation for (2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate)?
The canonical SMILES for (2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate) is CC(C)(C[Sn+3])c1ccccc1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.
What is the InChIKey of (2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate)?
The InChIKey is HQQPMRGMOVKGCS-UHFFFAOYSA-K. The full InChI is InChI=1S/3C11H8O2.C10H13.Sn/c3*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-10(2,3)9-7-5-4-6-8-9;/h3*1-7H,(H,12,13);4-8H,1H2,2-3H3;/q;;;;+3/p-3.
What are the key properties of (2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate)?
(2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate) has a molecular weight of 765.45 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate) is sourced from PubChem (CID 175018825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).