1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride

C24H20Cl2Ti — CID 161292139

IUPAC1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride
SMILESC=C.[Cl-].[Cl-].[Ti+4].[c-]1cccc2c1Cc1ccccc1-2.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C13H9.C9H7.C2H4.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1;1-2;;;/h1-5,7-8H,9H2;1-7H;1-2H2;2*1H;/q2*-1;;;;+4/p-2
InChIKeyIJHITMLWVRKXHL-UHFFFAOYSA-L
MW427.20 g/mol
LogP0.42
Rot. Bonds

About 1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride

1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride (PubChem CID 161292139) has the molecular formula C24H20Cl2Ti and a molecular weight of 427.20 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride.

Molecular Properties

Compound Name1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride
PubChem CID161292139
Molecular FormulaC24H20Cl2Ti
Molecular Weight427.20 g/mol
Exact Mass426.04
IUPAC Name1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride
SMILESC=C.[Cl-].[Cl-].[Ti+4].[c-]1cccc2c1Cc1ccccc1-2.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C13H9.C9H7.C2H4.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1;1-2;;;/h1-5,7-8H,9H2;1-7H;1-2H2;2*1H;/q2*-1;;;;+4/p-2
InChIKeyIJHITMLWVRKXHL-UHFFFAOYSA-L
XLogP0.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.20
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride?
The IUPAC name of 1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride (CID 161292139) is 1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride.
What is the SMILES notation for 1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride?
The canonical SMILES for 1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride is C=C.[Cl-].[Cl-].[Ti+4].[c-]1cccc2c1Cc1ccccc1-2.c1ccc2[cH-]ccc2c1.
What is the InChIKey of 1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride?
The InChIKey is IJHITMLWVRKXHL-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C9H7.C2H4.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1;1-2;;;/h1-5,7-8H,9H2;1-7H;1-2H2;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of 1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride?
1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride has a molecular weight of 427.20 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride is sourced from PubChem (CID 161292139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).