1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene

C18H22Se2 — CID 155677375

IUPAC1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene
SMILESCc1ccc([Se][Se]c2ccc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C18H22Se2/c1-11-7-9-17(15(5)13(11)3)19-20-18-10-8-12(2)14(4)16(18)6/h7-10H,1-6H3
InChIKeyZSXZACUWGQHBBX-UHFFFAOYSA-N
MW396.29 g/mol
LogP2.81
Rot. Bonds3

About 1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene

1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene (PubChem CID 155677375) has the molecular formula C18H22Se2 and a molecular weight of 396.29 g/mol. Its IUPAC name is 1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene
PubChem CID155677375
Molecular FormulaC18H22Se2
Molecular Weight396.29 g/mol
Exact Mass398.01
IUPAC Name1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene
SMILESCc1ccc([Se][Se]c2ccc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C18H22Se2/c1-11-7-9-17(15(5)13(11)3)19-20-18-10-8-12(2)14(4)16(18)6/h7-10H,1-6H3
InChIKeyZSXZACUWGQHBBX-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
(2,3,4-trimethylphenyl)phosphane
CID 19864163
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
CID 158514008
CID 150814032
CID 150814032
1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene
CID 22967951
(2,3,4-trimethylphenyl)phosphane;hydrochloride
CID 173157555
lithium (2,3,4-trimethylphenyl)azanide
CID 141493779
formic acid;2,3,4-trimethylphenol
CID 67747401
1,2,3-trimethyl-4-propan-2-ylbenzene
CID 91264011
dimethyl-(2,3,4-trimethylphenyl)phosphane
CID 90111171
1-tert-butyl-2,3,4-trimethylbenzene
CID 19367867
1,2,3,4-tetramethylbenzene;toluene;1,2-xylene
CID 173333088

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene?
The IUPAC name of 1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene (CID 155677375) is 1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene.
What is the SMILES notation for 1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene?
The canonical SMILES for 1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene is Cc1ccc([Se][Se]c2ccc(C)c(C)c2C)c(C)c1C.
What is the InChIKey of 1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene?
The InChIKey is ZSXZACUWGQHBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Se2/c1-11-7-9-17(15(5)13(11)3)19-20-18-10-8-12(2)14(4)16(18)6/h7-10H,1-6H3.
What are the key properties of 1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene?
1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene has a molecular weight of 396.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene is sourced from PubChem (CID 155677375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).