chloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane

C28H24Cl2Si2 — CID 139704498

IUPACchloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane
SMILESC[Si](Cl)(c1ccccc1)c1c2ccccc2c([Si](C)(Cl)c2ccccc2)c2ccccc12
InChIInChI=1S/C28H24Cl2Si2/c1-31(29,21-13-5-3-6-14-21)27-23-17-9-11-19-25(23)28(26-20-12-10-18-24(26)27)32(2,30)22-15-7-4-8-16-22/h3-20H,1-2H3
InChIKeyVONCYANCFVKGPQ-UHFFFAOYSA-N
MW487.58 g/mol
LogP5.85
Rot. Bonds4

About chloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane

chloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane (PubChem CID 139704498) has the molecular formula C28H24Cl2Si2 and a molecular weight of 487.58 g/mol. Its IUPAC name is chloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane.

Molecular Properties

Compound Namechloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane
PubChem CID139704498
Molecular FormulaC28H24Cl2Si2
Molecular Weight487.58 g/mol
Exact Mass486.08
IUPAC Namechloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane
SMILESC[Si](Cl)(c1ccccc1)c1c2ccccc2c([Si](C)(Cl)c2ccccc2)c2ccccc12
InChIInChI=1S/C28H24Cl2Si2/c1-31(29,21-13-5-3-6-14-21)27-23-17-9-11-19-25(23)28(26-20-12-10-18-24(26)27)32(2,30)22-15-7-4-8-16-22/h3-20H,1-2H3
InChIKeyVONCYANCFVKGPQ-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane?
The IUPAC name of chloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane (CID 139704498) is chloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane.
What is the SMILES notation for chloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane?
The canonical SMILES for chloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane is C[Si](Cl)(c1ccccc1)c1c2ccccc2c([Si](C)(Cl)c2ccccc2)c2ccccc12.
What is the InChIKey of chloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane?
The InChIKey is VONCYANCFVKGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2Si2/c1-31(29,21-13-5-3-6-14-21)27-23-17-9-11-19-25(23)28(26-20-12-10-18-24(26)27)32(2,30)22-15-7-4-8-16-22/h3-20H,1-2H3.
What are the key properties of chloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane?
chloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane has a molecular weight of 487.58 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane is sourced from PubChem (CID 139704498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).