[phenyl(tritio)methyl]benzene

C13H12 — CID 102189044

IUPAC[phenyl(tritio)methyl]benzene
SMILES[3H]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2/i11T
InChIKeyCZZYITDELCSZES-KNWSOFMKSA-N
MW170.25 g/mol
LogP3.28
Rot. Bonds2

About [phenyl(tritio)methyl]benzene

[phenyl(tritio)methyl]benzene (PubChem CID 102189044) has the molecular formula C13H12 and a molecular weight of 170.25 g/mol. Its IUPAC name is [phenyl(tritio)methyl]benzene.

Molecular Properties

Compound Name[phenyl(tritio)methyl]benzene
PubChem CID102189044
Molecular FormulaC13H12
Molecular Weight170.25 g/mol
Exact Mass170.10
IUPAC Name[phenyl(tritio)methyl]benzene
SMILES[3H]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2/i11T
InChIKeyCZZYITDELCSZES-KNWSOFMKSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
phenyl(113C)methylbenzene
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hafnium;2-phenylethylbenzene
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alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
potassium;benzylbenzene;hydride
CID 173011788
phenylmethanamine
CID 19864074
benzylphosphanium chloride
CID 70121985
benzylphosphanium;bis(palladium(2+))
CID 175706897
CID 123173649
CID 123173649
ethylcyclodecapentaene
CID 90861705
4-phenylbutylbenzene
CID 141301927
3-phenyl-2-tritiopropanenitrile
CID 58498504

Frequently Asked Questions

What is the IUPAC name of [phenyl(tritio)methyl]benzene?
The IUPAC name of [phenyl(tritio)methyl]benzene (CID 102189044) is [phenyl(tritio)methyl]benzene.
What is the SMILES notation for [phenyl(tritio)methyl]benzene?
The canonical SMILES for [phenyl(tritio)methyl]benzene is [3H]C(c1ccccc1)c1ccccc1.
What is the InChIKey of [phenyl(tritio)methyl]benzene?
The InChIKey is CZZYITDELCSZES-KNWSOFMKSA-N. The full InChI is InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2/i11T.
What are the key properties of [phenyl(tritio)methyl]benzene?
[phenyl(tritio)methyl]benzene has a molecular weight of 170.25 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(tritio)methyl]benzene is sourced from PubChem (CID 102189044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).