2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate

C24H25Se- — CID 132518583

IUPAC2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[Se-])c(C)c1
InChIInChI=1S/C24H26Se/c1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24(20)25)23-18(5)12-15(2)13-19(23)6/h7-13,25H,1-6H3/p-1
InChIKeyWHWDLZVTLGJXFM-UHFFFAOYSA-M
MW392.42 g/mol
LogP5.66
Rot. Bonds2

About 2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate

2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate (PubChem CID 132518583) has the molecular formula C24H25Se- and a molecular weight of 392.42 g/mol. Its IUPAC name is 2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate.

Molecular Properties

Compound Name2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
PubChem CID132518583
Molecular FormulaC24H25Se-
Molecular Weight392.42 g/mol
Exact Mass393.11
IUPAC Name2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[Se-])c(C)c1
InChIInChI=1S/C24H26Se/c1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24(20)25)23-18(5)12-15(2)13-19(23)6/h7-13,25H,1-6H3/p-1
InChIKeyWHWDLZVTLGJXFM-UHFFFAOYSA-M
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.42
LogP ≤ 55.66
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

benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+))
CID 139162852
CID 137158148
CID 137158148
CID 134905872
CID 134905872
2-[2-[[2,6-bis(2,4,6-trimethylphenyl)phenyl]ditellanyl]-3-(2,4,6-trimethylphenyl)phenyl]-1,3,5-trimethylbenzene
CID 101453137
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)
CID 139137061
CID 6394929
CID 6394929
CID 139248972
CID 139248972
2-[2-[2,3-bis(2,4,6-trimethylphenyl)phenoxy]-6-(2,4,6-trimethylphenyl)phenyl]-1,3,5-trimethylbenzene
CID 151096565
2,6-bis(2,4,6-trimethylphenyl)benzoate
CID 102375892
2,6-bis(2,4,6-trimethylphenyl)benzenecarbodithioate;copper(1+)
CID 132518578
lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide
CID 101398380

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate?
The IUPAC name of 2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate (CID 132518583) is 2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate.
What is the SMILES notation for 2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate?
The canonical SMILES for 2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate is Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[Se-])c(C)c1.
What is the InChIKey of 2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate?
The InChIKey is WHWDLZVTLGJXFM-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H26Se/c1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24(20)25)23-18(5)12-15(2)13-19(23)6/h7-13,25H,1-6H3/p-1.
What are the key properties of 2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate?
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate has a molecular weight of 392.42 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate is sourced from PubChem (CID 132518583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).