dichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide)

C32H26Cl2Ti-2 — CID 87903675

IUPACdichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide)
SMILESCC=[Ti](Cl)Cl.c1ccc(-c2cccc3[cH-]ccc23)cc1.c1ccc(-c2cccc3[cH-]ccc23)cc1
InChIInChI=1S/2C15H11.C2H4.2ClH.Ti/c2*1-2-6-12(7-3-1)14-10-4-8-13-9-5-11-15(13)14;1-2;;;/h2*1-11H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyWYJGCZBRMXVUPA-UHFFFAOYSA-L
MW529.33 g/mol
LogP10.19
Rot. Bonds2

About dichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide)

dichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide) (PubChem CID 87903675) has the molecular formula C32H26Cl2Ti-2 and a molecular weight of 529.33 g/mol. Its IUPAC name is dichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide).

Molecular Properties

Compound Namedichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide)
PubChem CID87903675
Molecular FormulaC32H26Cl2Ti-2
Molecular Weight529.33 g/mol
Exact Mass528.09
IUPAC Namedichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide)
SMILESCC=[Ti](Cl)Cl.c1ccc(-c2cccc3[cH-]ccc23)cc1.c1ccc(-c2cccc3[cH-]ccc23)cc1
InChIInChI=1S/2C15H11.C2H4.2ClH.Ti/c2*1-2-6-12(7-3-1)14-10-4-8-13-9-5-11-15(13)14;1-2;;;/h2*1-11H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyWYJGCZBRMXVUPA-UHFFFAOYSA-L
XLogP10.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.33
LogP ≤ 510.19
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

dimethylsilylidenezirconium(2+);4-methyl-1H-inden-1-ide;4-phenyl-1H-inden-1-ide;dichloride
CID 18369813
2-methyl-1H-inden-1-ide;4-phenyl-1H-inden-1-ide;propan-2-ylidenezirconium(2+);dichloride
CID 18369877
lithium 4-(3,5-ditert-butylphenyl)-1H-inden-1-ide
CID 22023038
CID 173263371
CID 173263371
dimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride
CID 157440870
CID 173246133
CID 173246133
bis(1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 23369269
dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide
CID 173268351
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
dichloro(ethylidene)zirconium;bis(2-ethyl-4-phenyl-1H-inden-1-ide)
CID 87216524
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;4-(4-tert-butylphenyl)-1H-inden-1-ide;zirconium(4+);dichloride
CID 22990524

Frequently Asked Questions

What is the IUPAC name of dichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide)?
The IUPAC name of dichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide) (CID 87903675) is dichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide).
What is the SMILES notation for dichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide)?
The canonical SMILES for dichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide) is CC=[Ti](Cl)Cl.c1ccc(-c2cccc3[cH-]ccc23)cc1.c1ccc(-c2cccc3[cH-]ccc23)cc1.
What is the InChIKey of dichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide)?
The InChIKey is WYJGCZBRMXVUPA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H11.C2H4.2ClH.Ti/c2*1-2-6-12(7-3-1)14-10-4-8-13-9-5-11-15(13)14;1-2;;;/h2*1-11H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide)?
dichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide) has a molecular weight of 529.33 g/mol, XLogP of 10.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(ethylidene)titanium;bis(4-phenyl-1H-inden-1-ide) is sourced from PubChem (CID 87903675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).