bis(cyclopenta-1,3-diene);tris(diethylazanide);titanium

C22H40N3Ti-5 — CID 150005102

IUPACbis(cyclopenta-1,3-diene);tris(diethylazanide);titanium
SMILESCC[N-]CC.CC[N-]CC.CC[N-]CC.[Ti].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.3C4H10N.Ti/c2*1-2-4-5-3-1;3*1-3-5-4-2;/h2*1-5H;3*3-4H2,1-2H3;/q5*-1;
InChIKeyMOYYIYLWLUHMQV-UHFFFAOYSA-N
MW394.45 g/mol
LogP7.01
Rot. Bonds6

About bis(cyclopenta-1,3-diene);tris(diethylazanide);titanium

bis(cyclopenta-1,3-diene);tris(diethylazanide);titanium (PubChem CID 150005102) has the molecular formula C22H40N3Ti-5 and a molecular weight of 394.45 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);tris(diethylazanide);titanium.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);tris(diethylazanide);titanium
PubChem CID150005102
Molecular FormulaC22H40N3Ti-5
Molecular Weight394.45 g/mol
Exact Mass394.27
IUPAC Namebis(cyclopenta-1,3-diene);tris(diethylazanide);titanium
SMILESCC[N-]CC.CC[N-]CC.CC[N-]CC.[Ti].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.3C4H10N.Ti/c2*1-2-4-5-3-1;3*1-3-5-4-2;/h2*1-5H;3*3-4H2,1-2H3;/q5*-1;
InChIKeyMOYYIYLWLUHMQV-UHFFFAOYSA-N
XLogP7.01
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(cyclopenta-1,3-diene);tris(diethylazanide);titanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);tris(diethylazanide);titanium?
The IUPAC name of bis(cyclopenta-1,3-diene);tris(diethylazanide);titanium (CID 150005102) is bis(cyclopenta-1,3-diene);tris(diethylazanide);titanium.
What is the SMILES notation for bis(cyclopenta-1,3-diene);tris(diethylazanide);titanium?
The canonical SMILES for bis(cyclopenta-1,3-diene);tris(diethylazanide);titanium is CC[N-]CC.CC[N-]CC.CC[N-]CC.[Ti].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);tris(diethylazanide);titanium?
The InChIKey is MOYYIYLWLUHMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.3C4H10N.Ti/c2*1-2-4-5-3-1;3*1-3-5-4-2;/h2*1-5H;3*3-4H2,1-2H3;/q5*-1;.
What are the key properties of bis(cyclopenta-1,3-diene);tris(diethylazanide);titanium?
bis(cyclopenta-1,3-diene);tris(diethylazanide);titanium has a molecular weight of 394.45 g/mol, XLogP of 7.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);tris(diethylazanide);titanium is sourced from PubChem (CID 150005102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).