formaldehyde;phenylselanylbenzene

C25H22OSe2 — CID 174430151

IUPACformaldehyde;phenylselanylbenzene
SMILESC=O.c1ccc([Se]c2ccccc2)cc1.c1ccc([Se]c2ccccc2)cc1
InChIInChI=1S/2C12H10Se.CH2O/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2/h2*1-10H;1H2
InChIKeyIFBWPYBUTBKQHZ-UHFFFAOYSA-N
MW496.37 g/mol
LogP2.50
Rot. Bonds4

About formaldehyde;phenylselanylbenzene

formaldehyde;phenylselanylbenzene (PubChem CID 174430151) has the molecular formula C25H22OSe2 and a molecular weight of 496.37 g/mol. Its IUPAC name is formaldehyde;phenylselanylbenzene.

Molecular Properties

Compound Nameformaldehyde;phenylselanylbenzene
PubChem CID174430151
Molecular FormulaC25H22OSe2
Molecular Weight496.37 g/mol
Exact Mass498.00
IUPAC Nameformaldehyde;phenylselanylbenzene
SMILESC=O.c1ccc([Se]c2ccccc2)cc1.c1ccc([Se]c2ccccc2)cc1
InChIInChI=1S/2C12H10Se.CH2O/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2/h2*1-10H;1H2
InChIKeyIFBWPYBUTBKQHZ-UHFFFAOYSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze formaldehyde;phenylselanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of formaldehyde;phenylselanylbenzene?
The IUPAC name of formaldehyde;phenylselanylbenzene (CID 174430151) is formaldehyde;phenylselanylbenzene.
What is the SMILES notation for formaldehyde;phenylselanylbenzene?
The canonical SMILES for formaldehyde;phenylselanylbenzene is C=O.c1ccc([Se]c2ccccc2)cc1.c1ccc([Se]c2ccccc2)cc1.
What is the InChIKey of formaldehyde;phenylselanylbenzene?
The InChIKey is IFBWPYBUTBKQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10Se.CH2O/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2/h2*1-10H;1H2.
What are the key properties of formaldehyde;phenylselanylbenzene?
formaldehyde;phenylselanylbenzene has a molecular weight of 496.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;phenylselanylbenzene is sourced from PubChem (CID 174430151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).