phenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane

C36H36Si4 — CID 157116706

IUPACphenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane
SMILESc1ccc([SiH2]c2ccc([SiH2]c3ccccc3)cc2)cc1.c1ccc([SiH2]c2cccc([SiH2]c3ccccc3)c2)cc1
InChIInChI=1S/2C18H18Si2/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16;1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h2*1-14H,19-20H2
InChIKeyAHMJVTOIFJMPJJ-UHFFFAOYSA-N
MW581.03 g/mol
LogP-0.15
Rot. Bonds8

About phenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane

phenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane (PubChem CID 157116706) has the molecular formula C36H36Si4 and a molecular weight of 581.03 g/mol. Its IUPAC name is phenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane.

Molecular Properties

Compound Namephenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane
PubChem CID157116706
Molecular FormulaC36H36Si4
Molecular Weight581.03 g/mol
Exact Mass580.19
IUPAC Namephenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane
SMILESc1ccc([SiH2]c2ccc([SiH2]c3ccccc3)cc2)cc1.c1ccc([SiH2]c2cccc([SiH2]c3ccccc3)c2)cc1
InChIInChI=1S/2C18H18Si2/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16;1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h2*1-14H,19-20H2
InChIKeyAHMJVTOIFJMPJJ-UHFFFAOYSA-N
XLogP-0.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.03
LogP ≤ 5-0.15
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 phenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane?
The IUPAC name of phenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane (CID 157116706) is phenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane.
What is the SMILES notation for phenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane?
The canonical SMILES for phenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane is c1ccc([SiH2]c2ccc([SiH2]c3ccccc3)cc2)cc1.c1ccc([SiH2]c2cccc([SiH2]c3ccccc3)c2)cc1.
What is the InChIKey of phenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane?
The InChIKey is AHMJVTOIFJMPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H18Si2/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16;1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h2*1-14H,19-20H2.
What are the key properties of phenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane?
phenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane has a molecular weight of 581.03 g/mol, XLogP of -0.15, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane is sourced from PubChem (CID 157116706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).