cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+)

C21H21Ti — CID 173221097

IUPACcyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+)
SMILESC[CH-]C.[C-]1=CC=CC1.[Ti+3].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.C3H7.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;/h1-9H;1-3H,4H2;3H,1-2H3;/q3*-1;+3
InChIKeyZTAMKFBWXBDAOB-UHFFFAOYSA-N
MW321.27 g/mol
LogP6.25
Rot. Bonds

About cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+)

cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+) (PubChem CID 173221097) has the molecular formula C21H21Ti and a molecular weight of 321.27 g/mol. Its IUPAC name is cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+)
PubChem CID173221097
Molecular FormulaC21H21Ti
Molecular Weight321.27 g/mol
Exact Mass321.11
IUPAC Namecyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+)
SMILESC[CH-]C.[C-]1=CC=CC1.[Ti+3].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.C3H7.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;/h1-9H;1-3H,4H2;3H,1-2H3;/q3*-1;+3
InChIKeyZTAMKFBWXBDAOB-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.27
LogP ≤ 56.25
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

cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride
CID 86749727
cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride
CID 87101437
cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)
CID 173138185
cyclopenta-1,3-diene;9H-fluoren-9-ide;methylidenezirconium(2+);dichloride
CID 87327978
cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride
CID 87337244
cyclopenta-1,3-diene;di(propan-2-ylidene)hafnium;9H-fluoren-9-ide
CID 173322687
cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide
CID 173276833
cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide
CID 173379848
aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride
CID 22461419
cyclopenta-1,3-diene;9H-fluoren-9-ide;nonan-5-ylidenezirconium(2+)
CID 173080035
CID 173031425
CID 173031425
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;chloride
CID 23363370

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+)?
The IUPAC name of cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+) (CID 173221097) is cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+).
What is the SMILES notation for cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+)?
The canonical SMILES for cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+) is C[CH-]C.[C-]1=CC=CC1.[Ti+3].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+)?
The InChIKey is ZTAMKFBWXBDAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C5H5.C3H7.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;/h1-9H;1-3H,4H2;3H,1-2H3;/q3*-1;+3.
What are the key properties of cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+)?
cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+) has a molecular weight of 321.27 g/mol, XLogP of 6.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+) is sourced from PubChem (CID 173221097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).