tetrakis[4-(2-phenylpropan-2-yl)phenoxy]plumbane

C60H60O4Pb — CID 141270850

IUPACtetrakis[4-(2-phenylpropan-2-yl)phenoxy]plumbane
SMILESCC(C)(c1ccccc1)c1ccc(O[Pb](Oc2ccc(C(C)(C)c3ccccc3)cc2)(Oc2ccc(C(C)(C)c3ccccc3)cc2)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/4C15H16O.Pb/c4*1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;/h4*3-11,16H,1-2H3;/q;;;;+4/p-4
InChIKeyLBODTYAHOJLYBT-UHFFFAOYSA-J
MW1052.34 g/mol
LogP15.04
Rot. Bonds16

About tetrakis[4-(2-phenylpropan-2-yl)phenoxy]plumbane

tetrakis[4-(2-phenylpropan-2-yl)phenoxy]plumbane (PubChem CID 141270850) has the molecular formula C60H60O4Pb and a molecular weight of 1052.34 g/mol. Its IUPAC name is tetrakis[4-(2-phenylpropan-2-yl)phenoxy]plumbane.

Molecular Properties

Compound Nametetrakis[4-(2-phenylpropan-2-yl)phenoxy]plumbane
PubChem CID141270850
Molecular FormulaC60H60O4Pb
Molecular Weight1052.34 g/mol
Exact Mass1052.43
IUPAC Nametetrakis[4-(2-phenylpropan-2-yl)phenoxy]plumbane
SMILESCC(C)(c1ccccc1)c1ccc(O[Pb](Oc2ccc(C(C)(C)c3ccccc3)cc2)(Oc2ccc(C(C)(C)c3ccccc3)cc2)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/4C15H16O.Pb/c4*1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;/h4*3-11,16H,1-2H3;/q;;;;+4/p-4
InChIKeyLBODTYAHOJLYBT-UHFFFAOYSA-J
XLogP15.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001052.34
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tetrakis[4-(2-phenylpropan-2-yl)phenoxy]plumbane?
The IUPAC name of tetrakis[4-(2-phenylpropan-2-yl)phenoxy]plumbane (CID 141270850) is tetrakis[4-(2-phenylpropan-2-yl)phenoxy]plumbane.
What is the SMILES notation for tetrakis[4-(2-phenylpropan-2-yl)phenoxy]plumbane?
The canonical SMILES for tetrakis[4-(2-phenylpropan-2-yl)phenoxy]plumbane is CC(C)(c1ccccc1)c1ccc(O[Pb](Oc2ccc(C(C)(C)c3ccccc3)cc2)(Oc2ccc(C(C)(C)c3ccccc3)cc2)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1.
What is the InChIKey of tetrakis[4-(2-phenylpropan-2-yl)phenoxy]plumbane?
The InChIKey is LBODTYAHOJLYBT-UHFFFAOYSA-J. The full InChI is InChI=1S/4C15H16O.Pb/c4*1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;/h4*3-11,16H,1-2H3;/q;;;;+4/p-4.
What are the key properties of tetrakis[4-(2-phenylpropan-2-yl)phenoxy]plumbane?
tetrakis[4-(2-phenylpropan-2-yl)phenoxy]plumbane has a molecular weight of 1052.34 g/mol, XLogP of 15.04, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[4-(2-phenylpropan-2-yl)phenoxy]plumbane is sourced from PubChem (CID 141270850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).