Ethylenebis(1-indenyl)titanium(iv)dichloride

C20H16Cl2Ti — CID 102602582

IUPAC—
SMILESCl[Ti]Cl.[CH]1[CH][C](CC[C]2[CH][CH][C]3C=CC=C[C]32)[C]2C=CC=C[C]12
InChIInChI=1S/C20H16.2ClH.Ti/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;;/h1-12H,13-14H2;2*1H;/q;;;+2/p-2
InChIKeyVFQCXELCDJKSHJ-UHFFFAOYSA-L
MW375.12 g/mol
LogP5.69
Rot. Bonds3

About Ethylenebis(1-indenyl)titanium(iv)dichloride

Ethylenebis(1-indenyl)titanium(iv)dichloride (PubChem CID 102602582) has the molecular formula C20H16Cl2Ti and a molecular weight of 375.12 g/mol.

Molecular Properties

Compound NameEthylenebis(1-indenyl)titanium(iv)dichloride
PubChem CID102602582
Molecular FormulaC20H16Cl2Ti
Molecular Weight375.12 g/mol
Exact Mass374.01
IUPAC Name—
SMILESCl[Ti]Cl.[CH]1[CH][C](CC[C]2[CH][CH][C]3C=CC=C[C]32)[C]2C=CC=C[C]12
InChIInChI=1S/C20H16.2ClH.Ti/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;;/h1-12H,13-14H2;2*1H;/q;;;+2/p-2
InChIKeyVFQCXELCDJKSHJ-UHFFFAOYSA-L
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.12
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze Ethylenebis(1-indenyl)titanium(iv)dichloride with MolForge

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

Launch Full Analysis

Related Compounds

Bis(2-methylindenyl)zirconiumdichloride
CID 16213039
2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene
CID 18402034
Bis(tetrahydroindenyl)ethane
CID 88193156
CID 117060276
CID 117060276
1,2-Bis(tetrahydroindenyl)ethane
CID 129702092
(3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene
CID 134866152
Isopropylidene(3-methylcyclopentadienyl)(9-fluorenyl)zirconium dichloride
CID 102600867
Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)-
CID 102602477
(r,r,r)-1,2-Bis(tetrahydroindenyl)ethane
CID 129699750
CID 134902129
CID 134902129
CID 134902736
CID 134902736
CID 134903182
CID 134903182

Frequently Asked Questions

What is the IUPAC name of Ethylenebis(1-indenyl)titanium(iv)dichloride?
The IUPAC name of Ethylenebis(1-indenyl)titanium(iv)dichloride (CID 102602582) is not available.
What is the SMILES notation for Ethylenebis(1-indenyl)titanium(iv)dichloride?
The canonical SMILES for Ethylenebis(1-indenyl)titanium(iv)dichloride is Cl[Ti]Cl.[CH]1[CH][C](CC[C]2[CH][CH][C]3C=CC=C[C]32)[C]2C=CC=C[C]12.
What is the InChIKey of Ethylenebis(1-indenyl)titanium(iv)dichloride?
The InChIKey is VFQCXELCDJKSHJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H16.2ClH.Ti/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;;/h1-12H,13-14H2;2*1H;/q;;;+2/p-2.
What are the key properties of Ethylenebis(1-indenyl)titanium(iv)dichloride?
Ethylenebis(1-indenyl)titanium(iv)dichloride has a molecular weight of 375.12 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Ethylenebis(1-indenyl)titanium(iv)dichloride is sourced from PubChem (CID 102602582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).