bis(phenylsulfanyl)-bis[2,4,6-tri(propan-2-yl)phenyl]plumbane

C42H56PbS2 — CID 10887368

IUPACbis(phenylsulfanyl)-bis[2,4,6-tri(propan-2-yl)phenyl]plumbane
SMILESCC(C)c1cc(C(C)C)c([Pb](Sc2ccccc2)(Sc2ccccc2)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/2C15H23.2C6H6S.Pb/c2*1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6;2*7-6-4-2-1-3-5-6;/h2*7-8,10-12H,1-6H3;2*1-5,7H;/q;;;;+2/p-2
InChIKeyVZBFUNDRIVUPDK-UHFFFAOYSA-L
MW832.24 g/mol
LogP12.57
Rot. Bonds12

About bis(phenylsulfanyl)-bis[2,4,6-tri(propan-2-yl)phenyl]plumbane

bis(phenylsulfanyl)-bis[2,4,6-tri(propan-2-yl)phenyl]plumbane (PubChem CID 10887368) has the molecular formula C42H56PbS2 and a molecular weight of 832.24 g/mol. Its IUPAC name is bis(phenylsulfanyl)-bis[2,4,6-tri(propan-2-yl)phenyl]plumbane.

Molecular Properties

Compound Namebis(phenylsulfanyl)-bis[2,4,6-tri(propan-2-yl)phenyl]plumbane
PubChem CID10887368
Molecular FormulaC42H56PbS2
Molecular Weight832.24 g/mol
Exact Mass832.36
IUPAC Namebis(phenylsulfanyl)-bis[2,4,6-tri(propan-2-yl)phenyl]plumbane
SMILESCC(C)c1cc(C(C)C)c([Pb](Sc2ccccc2)(Sc2ccccc2)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/2C15H23.2C6H6S.Pb/c2*1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6;2*7-6-4-2-1-3-5-6;/h2*7-8,10-12H,1-6H3;2*1-5,7H;/q;;;;+2/p-2
InChIKeyVZBFUNDRIVUPDK-UHFFFAOYSA-L
XLogP12.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.24
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(phenylsulfanyl)-bis[2,4,6-tri(propan-2-yl)phenyl]plumbane?
The IUPAC name of bis(phenylsulfanyl)-bis[2,4,6-tri(propan-2-yl)phenyl]plumbane (CID 10887368) is bis(phenylsulfanyl)-bis[2,4,6-tri(propan-2-yl)phenyl]plumbane.
What is the SMILES notation for bis(phenylsulfanyl)-bis[2,4,6-tri(propan-2-yl)phenyl]plumbane?
The canonical SMILES for bis(phenylsulfanyl)-bis[2,4,6-tri(propan-2-yl)phenyl]plumbane is CC(C)c1cc(C(C)C)c([Pb](Sc2ccccc2)(Sc2ccccc2)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.
What is the InChIKey of bis(phenylsulfanyl)-bis[2,4,6-tri(propan-2-yl)phenyl]plumbane?
The InChIKey is VZBFUNDRIVUPDK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H23.2C6H6S.Pb/c2*1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6;2*7-6-4-2-1-3-5-6;/h2*7-8,10-12H,1-6H3;2*1-5,7H;/q;;;;+2/p-2.
What are the key properties of bis(phenylsulfanyl)-bis[2,4,6-tri(propan-2-yl)phenyl]plumbane?
bis(phenylsulfanyl)-bis[2,4,6-tri(propan-2-yl)phenyl]plumbane has a molecular weight of 832.24 g/mol, XLogP of 12.57, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenylsulfanyl)-bis[2,4,6-tri(propan-2-yl)phenyl]plumbane is sourced from PubChem (CID 10887368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).