benzyl-tris(4-methylphenyl)plumbane

C28H28Pb — CID 3320758

IUPACbenzyl-tris(4-methylphenyl)plumbane
SMILESCc1ccc([Pb](Cc2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/4C7H7.Pb/c4*1-7-5-3-2-4-6-7;/h3*3-6H,1H3;2-6H,1H2;
InChIKeyIBAKYJMCNIQCIZ-UHFFFAOYSA-N
MW571.73 g/mol
LogP4.86
Rot. Bonds5

About benzyl-tris(4-methylphenyl)plumbane

benzyl-tris(4-methylphenyl)plumbane (PubChem CID 3320758) has the molecular formula C28H28Pb and a molecular weight of 571.73 g/mol. Its IUPAC name is benzyl-tris(4-methylphenyl)plumbane.

Molecular Properties

Compound Namebenzyl-tris(4-methylphenyl)plumbane
PubChem CID3320758
Molecular FormulaC28H28Pb
Molecular Weight571.73 g/mol
Exact Mass572.20
IUPAC Namebenzyl-tris(4-methylphenyl)plumbane
SMILESCc1ccc([Pb](Cc2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/4C7H7.Pb/c4*1-7-5-3-2-4-6-7;/h3*3-6H,1H3;2-6H,1H2;
InChIKeyIBAKYJMCNIQCIZ-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.73
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzyl-tris(4-methylphenyl)plumbane?
The IUPAC name of benzyl-tris(4-methylphenyl)plumbane (CID 3320758) is benzyl-tris(4-methylphenyl)plumbane.
What is the SMILES notation for benzyl-tris(4-methylphenyl)plumbane?
The canonical SMILES for benzyl-tris(4-methylphenyl)plumbane is Cc1ccc([Pb](Cc2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of benzyl-tris(4-methylphenyl)plumbane?
The InChIKey is IBAKYJMCNIQCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H7.Pb/c4*1-7-5-3-2-4-6-7;/h3*3-6H,1H3;2-6H,1H2;.
What are the key properties of benzyl-tris(4-methylphenyl)plumbane?
benzyl-tris(4-methylphenyl)plumbane has a molecular weight of 571.73 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-tris(4-methylphenyl)plumbane is sourced from PubChem (CID 3320758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).