8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride

C29H24Cl2SiTi — CID 173223274

IUPAC8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
SMILESC=C[Si](C)(C1=c2ccccc2=C2C=CC=CC21)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C29H24Si.2ClH.Ti/c1-3-30(2,28-24-16-8-4-12-20(24)21-13-5-9-17-25(21)28)29-26-18-10-6-14-22(26)23-15-7-11-19-27(23)29;;;/h3-19,24,29H,1H2,2H3;2*1H;/q;;;+2/p-2
InChIKeyLKOJJSKNKCXNCY-UHFFFAOYSA-L
MW519.37 g/mol
LogP-0.56
Rot. Bonds3

About 8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride

8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride (PubChem CID 173223274) has the molecular formula C29H24Cl2SiTi and a molecular weight of 519.37 g/mol. Its IUPAC name is 8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride.

Molecular Properties

Compound Name8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
PubChem CID173223274
Molecular FormulaC29H24Cl2SiTi
Molecular Weight519.37 g/mol
Exact Mass518.05
IUPAC Name8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
SMILESC=C[Si](C)(C1=c2ccccc2=C2C=CC=CC21)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C29H24Si.2ClH.Ti/c1-3-30(2,28-24-16-8-4-12-20(24)21-13-5-9-17-25(21)28)29-26-18-10-6-14-22(26)23-15-7-11-19-27(23)29;;;/h3-19,24,29H,1H2,2H3;2*1H;/q;;;+2/p-2
InChIKeyLKOJJSKNKCXNCY-UHFFFAOYSA-L
XLogP-0.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.37
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride?
The IUPAC name of 8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride (CID 173223274) is 8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride.
What is the SMILES notation for 8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride?
The canonical SMILES for 8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride is C=C[Si](C)(C1=c2ccccc2=C2C=CC=CC21)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of 8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride?
The InChIKey is LKOJJSKNKCXNCY-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H24Si.2ClH.Ti/c1-3-30(2,28-24-16-8-4-12-20(24)21-13-5-9-17-25(21)28)29-26-18-10-6-14-22(26)23-15-7-11-19-27(23)29;;;/h3-19,24,29H,1H2,2H3;2*1H;/q;;;+2/p-2.
What are the key properties of 8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride?
8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride has a molecular weight of 519.37 g/mol, XLogP of -0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride is sourced from PubChem (CID 173223274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).