1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene

C14H14 — CID 167703253

IUPAC1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(C)c2C)c([2H])c1[2H]
InChIInChI=1S/C14H14/c1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13/h3-10H,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D
InChIKeyHCAHMRPMYBVHGU-UWAUJQNOSA-N
MW190.31 g/mol
LogP3.97
Rot. Bonds1

About 1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene

1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene (PubChem CID 167703253) has the molecular formula C14H14 and a molecular weight of 190.31 g/mol. Its IUPAC name is 1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene
PubChem CID167703253
Molecular FormulaC14H14
Molecular Weight190.31 g/mol
Exact Mass190.16
IUPAC Name1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(C)c2C)c([2H])c1[2H]
InChIInChI=1S/C14H14/c1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13/h3-10H,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D
InChIKeyHCAHMRPMYBVHGU-UWAUJQNOSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]phenyl]anthracene
CID 166587652
1,2,3,6,7,8-hexadeuterio-9-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophene
CID 172513488
1,2-dideuterio-3,4,5,6-tetramethylbenzene
CID 161147977
2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine
CID 164803143
1,2,3,6,8,9-hexadeuterio-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophene
CID 172513428
1,2,3,4,5-pentadeuterio-6-[4-methyl-3-(trideuteriomethyl)phenyl]benzene
CID 164811957
2-[2,3,4,5,6,7-hexadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177076655
1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene
CID 170941931
1,2,3,7,8,9-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 167407088
1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene
CID 158853164
4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)aniline
CID 169001736
1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene
CID 140946173

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene?
The IUPAC name of 1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene (CID 167703253) is 1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(C)c2C)c([2H])c1[2H].
What is the InChIKey of 1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene?
The InChIKey is HCAHMRPMYBVHGU-UWAUJQNOSA-N. The full InChI is InChI=1S/C14H14/c1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13/h3-10H,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D.
What are the key properties of 1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene?
1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene has a molecular weight of 190.31 g/mol, XLogP of 3.97, 1 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-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene is sourced from PubChem (CID 167703253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).