1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene

C19H16 — CID 170941931

IUPAC1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene
SMILES[2H]c1c([2H])c([2H])c(-c2cc(C)ccc2-c2ccccc2)c([2H])c1[2H]
InChIInChI=1S/C19H16/c1-15-12-13-18(16-8-4-2-5-9-16)19(14-15)17-10-6-3-7-11-17/h2-14H,1H3/i3D,6D,7D,10D,11D
InChIKeyAYVWUPXIMBDBSX-LKOJFEAXSA-N
MW249.37 g/mol
LogP5.33
Rot. Bonds2

About 1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene

1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene (PubChem CID 170941931) has the molecular formula C19H16 and a molecular weight of 249.37 g/mol. Its IUPAC name is 1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene
PubChem CID170941931
Molecular FormulaC19H16
Molecular Weight249.37 g/mol
Exact Mass249.16
IUPAC Name1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene
SMILES[2H]c1c([2H])c([2H])c(-c2cc(C)ccc2-c2ccccc2)c([2H])c1[2H]
InChIInChI=1S/C19H16/c1-15-12-13-18(16-8-4-2-5-9-16)19(14-15)17-10-6-3-7-11-17/h2-14H,1H3/i3D,6D,7D,10D,11D
InChIKeyAYVWUPXIMBDBSX-LKOJFEAXSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.37
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene?
The IUPAC name of 1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene (CID 170941931) is 1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene is [2H]c1c([2H])c([2H])c(-c2cc(C)ccc2-c2ccccc2)c([2H])c1[2H].
What is the InChIKey of 1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene?
The InChIKey is AYVWUPXIMBDBSX-LKOJFEAXSA-N. The full InChI is InChI=1S/C19H16/c1-15-12-13-18(16-8-4-2-5-9-16)19(14-15)17-10-6-3-7-11-17/h2-14H,1H3/i3D,6D,7D,10D,11D.
What are the key properties of 1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene?
1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene has a molecular weight of 249.37 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene is sourced from PubChem (CID 170941931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).