benzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane

C25H7F15Pb — CID 134904859

IUPACbenzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane
SMILESFc1c(F)c(F)c([Pb](Cc2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C7H7.3C6F5.Pb/c1-7-5-3-2-4-6-7;3*7-2-1-3(8)5(10)6(11)4(2)9;/h2-6H,1H2;;;;
InChIKeyFFIJEZRVWSGZSQ-UHFFFAOYSA-N
MW799.50 g/mol
LogP6.03
Rot. Bonds5

About benzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane

benzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane (PubChem CID 134904859) has the molecular formula C25H7F15Pb and a molecular weight of 799.50 g/mol. Its IUPAC name is benzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane.

Molecular Properties

Compound Namebenzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane
PubChem CID134904859
Molecular FormulaC25H7F15Pb
Molecular Weight799.50 g/mol
Exact Mass800.01
IUPAC Namebenzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane
SMILESFc1c(F)c(F)c([Pb](Cc2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C7H7.3C6F5.Pb/c1-7-5-3-2-4-6-7;3*7-2-1-3(8)5(10)6(11)4(2)9;/h2-6H,1H2;;;;
InChIKeyFFIJEZRVWSGZSQ-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.50
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

benzyl-tris(4-methylphenyl)plumbane
CID 3320758
(benzylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139129604
(1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol
CID 10684746
chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene
CID 70538509
benzylphosphanium;bis(palladium(2+))
CID 175706897
3-benzyl-4,5,6-trifluorobenzene-1,2-diamine
CID 152613756
benzene;2-phenylethylbenzene
CID 18982764
phenyl(113C)methylbenzene
CID 11194569
1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene
CID 102031632
chloromethylbenzene;ruthenium
CID 161305198
phenylmethanamine;titanium(2+)
CID 21287655
nickel(2+);phenylmethanethiolate
CID 6098233

Frequently Asked Questions

What is the IUPAC name of benzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane?
The IUPAC name of benzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane (CID 134904859) is benzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane.
What is the SMILES notation for benzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane?
The canonical SMILES for benzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane is Fc1c(F)c(F)c([Pb](Cc2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of benzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane?
The InChIKey is FFIJEZRVWSGZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.3C6F5.Pb/c1-7-5-3-2-4-6-7;3*7-2-1-3(8)5(10)6(11)4(2)9;/h2-6H,1H2;;;;.
What are the key properties of benzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane?
benzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane has a molecular weight of 799.50 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane is sourced from PubChem (CID 134904859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).