cyclopenta-1,3-diene;tris(di(propan-2-yl)azanide);titanium(4+)

C23H47N3Ti — CID 141442138

IUPACcyclopenta-1,3-diene;tris(di(propan-2-yl)azanide);titanium(4+)
SMILESCC(C)[N-]C(C)C.CC(C)[N-]C(C)C.CC(C)[N-]C(C)C.[Ti+4].c1cc[cH-]c1
InChIInChI=1S/3C6H14N.C5H5.Ti/c3*1-5(2)7-6(3)4;1-2-4-5-3-1;/h3*5-6H,1-4H3;1-5H;/q4*-1;+4
InChIKeyGBPQDULTKINYKR-UHFFFAOYSA-N
MW413.52 g/mol
LogP7.93
Rot. Bonds6

About cyclopenta-1,3-diene;tris(di(propan-2-yl)azanide);titanium(4+)

cyclopenta-1,3-diene;tris(di(propan-2-yl)azanide);titanium(4+) (PubChem CID 141442138) has the molecular formula C23H47N3Ti and a molecular weight of 413.52 g/mol. Its IUPAC name is cyclopenta-1,3-diene;tris(di(propan-2-yl)azanide);titanium(4+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;tris(di(propan-2-yl)azanide);titanium(4+)
PubChem CID141442138
Molecular FormulaC23H47N3Ti
Molecular Weight413.52 g/mol
Exact Mass413.32
IUPAC Namecyclopenta-1,3-diene;tris(di(propan-2-yl)azanide);titanium(4+)
SMILESCC(C)[N-]C(C)C.CC(C)[N-]C(C)C.CC(C)[N-]C(C)C.[Ti+4].c1cc[cH-]c1
InChIInChI=1S/3C6H14N.C5H5.Ti/c3*1-5(2)7-6(3)4;1-2-4-5-3-1;/h3*5-6H,1-4H3;1-5H;/q4*-1;+4
InChIKeyGBPQDULTKINYKR-UHFFFAOYSA-N
XLogP7.93
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(cyclopenta-1,3-diene);ethane;titanium(4+)
CID 140973450
cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+)
CID 75124254
bis(cyclopenta-1,3-diene);nickel
CID 25199994
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061
cobalt;cyclopenta-1,3-diene
CID 25199992
bis(cyclopenta-1,3-diene);gold
CID 140990202
cyclopenta-1,3-diene;ethane;ruthenium(2+)
CID 141259751
bis(cyclopenta-1,3-diene);ethane;iron(4+)
CID 151124336
cyclopenta-1,3-diene;ethane;titanium(3+)
CID 154448215
cyclopenta-1,3-diene;tetramethylazanium
CID 134880327
cobalt(2+);cyclopenta-1,3-diene;ethane
CID 140891740
carbanide;tris(cyclopenta-1,3-diene);tris(yttrium)
CID 175586700

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;tris(di(propan-2-yl)azanide);titanium(4+)?
The IUPAC name of cyclopenta-1,3-diene;tris(di(propan-2-yl)azanide);titanium(4+) (CID 141442138) is cyclopenta-1,3-diene;tris(di(propan-2-yl)azanide);titanium(4+).
What is the SMILES notation for cyclopenta-1,3-diene;tris(di(propan-2-yl)azanide);titanium(4+)?
The canonical SMILES for cyclopenta-1,3-diene;tris(di(propan-2-yl)azanide);titanium(4+) is CC(C)[N-]C(C)C.CC(C)[N-]C(C)C.CC(C)[N-]C(C)C.[Ti+4].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;tris(di(propan-2-yl)azanide);titanium(4+)?
The InChIKey is GBPQDULTKINYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H14N.C5H5.Ti/c3*1-5(2)7-6(3)4;1-2-4-5-3-1;/h3*5-6H,1-4H3;1-5H;/q4*-1;+4.
What are the key properties of cyclopenta-1,3-diene;tris(di(propan-2-yl)azanide);titanium(4+)?
cyclopenta-1,3-diene;tris(di(propan-2-yl)azanide);titanium(4+) has a molecular weight of 413.52 g/mol, XLogP of 7.93, 6 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(di(propan-2-yl)azanide);titanium(4+) is sourced from PubChem (CID 141442138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).