cyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+)

C23H47N3Ti — CID 173323248

IUPACcyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+)
SMILESCCC[N-]CCC.CCC[N-]CCC.CCC[N-]CCC.[C-]1=CC=CC1.[Ti+4]
InChIInChI=1S/3C6H14N.C5H5.Ti/c3*1-3-5-7-6-4-2;1-2-4-5-3-1;/h3*3-6H2,1-2H3;1-3H,4H2;/q4*-1;+4
InChIKeyRFUPKNONLGCRIQ-UHFFFAOYSA-N
MW413.52 g/mol
LogP7.84
Rot. Bonds12

About cyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+)

cyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+) (PubChem CID 173323248) has the molecular formula C23H47N3Ti and a molecular weight of 413.52 g/mol. Its IUPAC name is cyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+)
PubChem CID173323248
Molecular FormulaC23H47N3Ti
Molecular Weight413.52 g/mol
Exact Mass413.32
IUPAC Namecyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+)
SMILESCCC[N-]CCC.CCC[N-]CCC.CCC[N-]CCC.[C-]1=CC=CC1.[Ti+4]
InChIInChI=1S/3C6H14N.C5H5.Ti/c3*1-3-5-7-6-4-2;1-2-4-5-3-1;/h3*3-6H2,1-2H3;1-3H,4H2;/q4*-1;+4
InChIKeyRFUPKNONLGCRIQ-UHFFFAOYSA-N
XLogP7.84
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 57.84
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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Related Compounds

carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+)
CID 173323257
bis(cyclopenta-1,3-diene);propane;titanium(4+)
CID 21256119
butane;bis(cyclopenta-1,3-diene);iron(3+)
CID 19900891
cyclopenta-1,3-diene;platinum;propane
CID 175387408
magnesium;cyclopenta-1,3-diene;propane
CID 140515591
butane;carbanide;cyclopenta-1,3-diene;manganese(3+)
CID 174921078
butane;cyclopenta-1,3-diene;hafnium;trihydrochloride
CID 173097750
butane;cyclopenta-1,3-diene;zirconium(2+);dichloride
CID 87301075
cyclopenta-1,3-diene;bis(methanediol);titanium
CID 174427753
cyclopenta-1,3-diene;ethane;titanium(4+);chloride
CID 87905661
cyclopenta-1,3-diene;tris(dimethylazanide);hafnium(4+)
CID 87349857
bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide
CID 19821504

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+)?
The IUPAC name of cyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+) (CID 173323248) is cyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+).
What is the SMILES notation for cyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+)?
The canonical SMILES for cyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+) is CCC[N-]CCC.CCC[N-]CCC.CCC[N-]CCC.[C-]1=CC=CC1.[Ti+4].
What is the InChIKey of cyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+)?
The InChIKey is RFUPKNONLGCRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H14N.C5H5.Ti/c3*1-3-5-7-6-4-2;1-2-4-5-3-1;/h3*3-6H2,1-2H3;1-3H,4H2;/q4*-1;+4.
What are the key properties of cyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+)?
cyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+) has a molecular weight of 413.52 g/mol, XLogP of 7.84, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+) is sourced from PubChem (CID 173323248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).