2-methyl-6-(2-methylphenyl)dibenzoselenophene

C20H16Se — CID 141467993

IUPAC2-methyl-6-(2-methylphenyl)dibenzoselenophene
SMILESCc1ccc2[se]c3c(-c4ccccc4C)cccc3c2c1
InChIInChI=1S/C20H16Se/c1-13-10-11-19-18(12-13)17-9-5-8-16(20(17)21-19)15-7-4-3-6-14(15)2/h3-12H,1-2H3
InChIKeyLVPISFCMIHVBRC-UHFFFAOYSA-N
MW335.31 g/mol
LogP5.33
Rot. Bonds1

About 2-methyl-6-(2-methylphenyl)dibenzoselenophene

2-methyl-6-(2-methylphenyl)dibenzoselenophene (PubChem CID 141467993) has the molecular formula C20H16Se and a molecular weight of 335.31 g/mol. Its IUPAC name is 2-methyl-6-(2-methylphenyl)dibenzoselenophene.

Molecular Properties

Compound Name2-methyl-6-(2-methylphenyl)dibenzoselenophene
PubChem CID141467993
Molecular FormulaC20H16Se
Molecular Weight335.31 g/mol
Exact Mass336.04
IUPAC Name2-methyl-6-(2-methylphenyl)dibenzoselenophene
SMILESCc1ccc2[se]c3c(-c4ccccc4C)cccc3c2c1
InChIInChI=1S/C20H16Se/c1-13-10-11-19-18(12-13)17-9-5-8-16(20(17)21-19)15-7-4-3-6-14(15)2/h3-12H,1-2H3
InChIKeyLVPISFCMIHVBRC-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.31
LogP ≤ 55.33
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

2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 161194508
2-methyl-[1]benzoselenolo[2,3-b][1]benzoselenole
CID 134908987
2-methyl-5-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
CID 161168081
1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene
CID 160676393
6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159680048
butane;1,4-dimethyl-2-(2-methylphenyl)benzene
CID 142975298
2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 164943600
methane;1-methyl-2-(2-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 158386869
2,7-dimethyltriphenylene
CID 23261750
2-[10-(3-tert-butyl-5-ethylphenyl)anthracen-9-yl]-6-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzoselenophene
CID 158735479
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl] nitrate
CID 168748463

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylphenyl)dibenzoselenophene?
The IUPAC name of 2-methyl-6-(2-methylphenyl)dibenzoselenophene (CID 141467993) is 2-methyl-6-(2-methylphenyl)dibenzoselenophene.
What is the SMILES notation for 2-methyl-6-(2-methylphenyl)dibenzoselenophene?
The canonical SMILES for 2-methyl-6-(2-methylphenyl)dibenzoselenophene is Cc1ccc2[se]c3c(-c4ccccc4C)cccc3c2c1.
What is the InChIKey of 2-methyl-6-(2-methylphenyl)dibenzoselenophene?
The InChIKey is LVPISFCMIHVBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Se/c1-13-10-11-19-18(12-13)17-9-5-8-16(20(17)21-19)15-7-4-3-6-14(15)2/h3-12H,1-2H3.
What are the key properties of 2-methyl-6-(2-methylphenyl)dibenzoselenophene?
2-methyl-6-(2-methylphenyl)dibenzoselenophene has a molecular weight of 335.31 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylphenyl)dibenzoselenophene is sourced from PubChem (CID 141467993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).