1,3-bis(phenylselanylmethyl)benzene

C20H18Se2 — CID 11685663

IUPAC1,3-bis(phenylselanylmethyl)benzene
SMILESc1ccc([Se]Cc2cccc(C[Se]c3ccccc3)c2)cc1
InChIInChI=1S/C20H18Se2/c1-3-10-19(11-4-1)21-15-17-8-7-9-18(14-17)16-22-20-12-5-2-6-13-20/h1-14H,15-16H2
InChIKeyKNRBPZAUCBNUPW-UHFFFAOYSA-N
MW416.28 g/mol
LogP2.75
Rot. Bonds6

About 1,3-bis(phenylselanylmethyl)benzene

1,3-bis(phenylselanylmethyl)benzene (PubChem CID 11685663) has the molecular formula C20H18Se2 and a molecular weight of 416.28 g/mol. Its IUPAC name is 1,3-bis(phenylselanylmethyl)benzene.

Molecular Properties

Compound Name1,3-bis(phenylselanylmethyl)benzene
PubChem CID11685663
Molecular FormulaC20H18Se2
Molecular Weight416.28 g/mol
Exact Mass417.97
IUPAC Name1,3-bis(phenylselanylmethyl)benzene
SMILESc1ccc([Se]Cc2cccc(C[Se]c3ccccc3)c2)cc1
InChIInChI=1S/C20H18Se2/c1-3-10-19(11-4-1)21-15-17-8-7-9-18(14-17)16-22-20-12-5-2-6-13-20/h1-14H,15-16H2
InChIKeyKNRBPZAUCBNUPW-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(phenylselanylmethyl)benzene?
The IUPAC name of 1,3-bis(phenylselanylmethyl)benzene (CID 11685663) is 1,3-bis(phenylselanylmethyl)benzene.
What is the SMILES notation for 1,3-bis(phenylselanylmethyl)benzene?
The canonical SMILES for 1,3-bis(phenylselanylmethyl)benzene is c1ccc([Se]Cc2cccc(C[Se]c3ccccc3)c2)cc1.
What is the InChIKey of 1,3-bis(phenylselanylmethyl)benzene?
The InChIKey is KNRBPZAUCBNUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Se2/c1-3-10-19(11-4-1)21-15-17-8-7-9-18(14-17)16-22-20-12-5-2-6-13-20/h1-14H,15-16H2.
What are the key properties of 1,3-bis(phenylselanylmethyl)benzene?
1,3-bis(phenylselanylmethyl)benzene has a molecular weight of 416.28 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(phenylselanylmethyl)benzene is sourced from PubChem (CID 11685663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).