CID 173190105

C46H40HfSi-2 — CID 173190105

IUPAC—
SMILESC[Si]C.Cc1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.Cc1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.[Hf]
InChIInChI=1S/2C22H17.C2H6Si.Hf/c2*1-16-8-5-6-12-20(16)21-13-7-11-18-14-19(15-22(18)21)17-9-3-2-4-10-17;1-3-2;/h2*2-15H,1H3;1-2H3;/q2*-1;;
InChIKeyAXAVOLWERXAKQP-UHFFFAOYSA-N
MW799.40 g/mol
LogP13.19
Rot. Bonds4

About CID 173190105

CID 173190105 (PubChem CID 173190105) has the molecular formula C46H40HfSi-2 and a molecular weight of 799.40 g/mol.

Molecular Properties

Compound NameCID 173190105
PubChem CID173190105
Molecular FormulaC46H40HfSi-2
Molecular Weight799.40 g/mol
Exact Mass800.24
IUPAC Name—
SMILESC[Si]C.Cc1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.Cc1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.[Hf]
InChIInChI=1S/2C22H17.C2H6Si.Hf/c2*1-16-8-5-6-12-20(16)21-13-7-11-18-14-19(15-22(18)21)17-9-3-2-4-10-17;1-3-2;/h2*2-15H,1H3;1-2H3;/q2*-1;;
InChIKeyAXAVOLWERXAKQP-UHFFFAOYSA-N
XLogP13.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.40
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 173190173
CID 173190173
bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 22602504
dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride
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CID 87398743
CID 87398743
CID 87906420
CID 87906420
2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride
CID 162036346
bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 22251028
CID 173190048
CID 173190048
CID 173027351
CID 173027351
bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
CID 22335826

Frequently Asked Questions

What is the IUPAC name of CID 173190105?
The IUPAC name of CID 173190105 (CID 173190105) is not available.
What is the SMILES notation for CID 173190105?
The canonical SMILES for CID 173190105 is C[Si]C.Cc1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.Cc1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.[Hf].
What is the InChIKey of CID 173190105?
The InChIKey is AXAVOLWERXAKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17.C2H6Si.Hf/c2*1-16-8-5-6-12-20(16)21-13-7-11-18-14-19(15-22(18)21)17-9-3-2-4-10-17;1-3-2;/h2*2-15H,1H3;1-2H3;/q2*-1;;.
What are the key properties of CID 173190105?
CID 173190105 has a molecular weight of 799.40 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173190105 is sourced from PubChem (CID 173190105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).