8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride

C31H28Cl2SiTi — CID 173223344

IUPAC8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
SMILESC=CCC[Si](C)(C1=c2ccccc2=C2C=CC=CC21)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C31H28Si.2ClH.Ti/c1-3-4-21-32(2,30-26-17-9-5-13-22(26)23-14-6-10-18-27(23)30)31-28-19-11-7-15-24(28)25-16-8-12-20-29(25)31;;;/h3,5-20,26,31H,1,4,21H2,2H3;2*1H;/q;;;+2/p-2
InChIKeyXRDGRPVEEUCAJG-UHFFFAOYSA-L
MW547.42 g/mol
LogP0.29
Rot. Bonds5

About 8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride

8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride (PubChem CID 173223344) has the molecular formula C31H28Cl2SiTi and a molecular weight of 547.42 g/mol. Its IUPAC name is 8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride.

Molecular Properties

Compound Name8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
PubChem CID173223344
Molecular FormulaC31H28Cl2SiTi
Molecular Weight547.42 g/mol
Exact Mass546.08
IUPAC Name8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
SMILESC=CCC[Si](C)(C1=c2ccccc2=C2C=CC=CC21)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C31H28Si.2ClH.Ti/c1-3-4-21-32(2,30-26-17-9-5-13-22(26)23-14-6-10-18-27(23)30)31-28-19-11-7-15-24(28)25-16-8-12-20-29(25)31;;;/h3,5-20,26,31H,1,4,21H2,2H3;2*1H;/q;;;+2/p-2
InChIKeyXRDGRPVEEUCAJG-UHFFFAOYSA-L
XLogP0.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.42
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride?
The IUPAC name of 8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride (CID 173223344) is 8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride.
What is the SMILES notation for 8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride?
The canonical SMILES for 8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride is C=CCC[Si](C)(C1=c2ccccc2=C2C=CC=CC21)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of 8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride?
The InChIKey is XRDGRPVEEUCAJG-UHFFFAOYSA-L. The full InChI is InChI=1S/C31H28Si.2ClH.Ti/c1-3-4-21-32(2,30-26-17-9-5-13-22(26)23-14-6-10-18-27(23)30)31-28-19-11-7-15-24(28)25-16-8-12-20-29(25)31;;;/h3,5-20,26,31H,1,4,21H2,2H3;2*1H;/q;;;+2/p-2.
What are the key properties of 8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride?
8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride has a molecular weight of 547.42 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride is sourced from PubChem (CID 173223344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).