tris(dipropylazanide);1H-inden-1-ide;titanium(4+)

C27H49N3Ti — CID 158782041

IUPACtris(dipropylazanide);1H-inden-1-ide;titanium(4+)
SMILESCCC[N-]CCC.CCC[N-]CCC.CCC[N-]CCC.[Ti+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.3C6H14N.Ti/c1-2-5-9-7-3-6-8(9)4-1;3*1-3-5-7-6-4-2;/h1-7H;3*3-6H2,1-2H3;/q4*-1;+4
InChIKeyWAMCWFWFUIHUCK-UHFFFAOYSA-N
MW463.58 g/mol
LogP9.10
Rot. Bonds12

About tris(dipropylazanide);1H-inden-1-ide;titanium(4+)

tris(dipropylazanide);1H-inden-1-ide;titanium(4+) (PubChem CID 158782041) has the molecular formula C27H49N3Ti and a molecular weight of 463.58 g/mol. Its IUPAC name is tris(dipropylazanide);1H-inden-1-ide;titanium(4+).

Molecular Properties

Compound Nametris(dipropylazanide);1H-inden-1-ide;titanium(4+)
PubChem CID158782041
Molecular FormulaC27H49N3Ti
Molecular Weight463.58 g/mol
Exact Mass463.34
IUPAC Nametris(dipropylazanide);1H-inden-1-ide;titanium(4+)
SMILESCCC[N-]CCC.CCC[N-]CCC.CCC[N-]CCC.[Ti+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.3C6H14N.Ti/c1-2-5-9-7-3-6-8(9)4-1;3*1-3-5-7-6-4-2;/h1-7H;3*3-6H2,1-2H3;/q4*-1;+4
InChIKeyWAMCWFWFUIHUCK-UHFFFAOYSA-N
XLogP9.10
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(dipropylazanide);1H-inden-1-ide;titanium(4+)?
The IUPAC name of tris(dipropylazanide);1H-inden-1-ide;titanium(4+) (CID 158782041) is tris(dipropylazanide);1H-inden-1-ide;titanium(4+).
What is the SMILES notation for tris(dipropylazanide);1H-inden-1-ide;titanium(4+)?
The canonical SMILES for tris(dipropylazanide);1H-inden-1-ide;titanium(4+) is CCC[N-]CCC.CCC[N-]CCC.CCC[N-]CCC.[Ti+4].c1ccc2[cH-]ccc2c1.
What is the InChIKey of tris(dipropylazanide);1H-inden-1-ide;titanium(4+)?
The InChIKey is WAMCWFWFUIHUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.3C6H14N.Ti/c1-2-5-9-7-3-6-8(9)4-1;3*1-3-5-7-6-4-2;/h1-7H;3*3-6H2,1-2H3;/q4*-1;+4.
What are the key properties of tris(dipropylazanide);1H-inden-1-ide;titanium(4+)?
tris(dipropylazanide);1H-inden-1-ide;titanium(4+) has a molecular weight of 463.58 g/mol, XLogP of 9.10, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dipropylazanide);1H-inden-1-ide;titanium(4+) is sourced from PubChem (CID 158782041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).