2,6-diphenylselenopyran-1-ium perchlorate

C17H13ClO4Se — CID 163609282

IUPAC2,6-diphenylselenopyran-1-ium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(-c3ccccc3)[se+]2)cc1
InChIInChI=1S/C17H13Se.ClHO4/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;2-1(3,4)5/h1-13H;(H,2,3,4,5)/q+1;/p-1
InChIKeyHEMUUIVRBLVSIF-UHFFFAOYSA-M
MW395.70 g/mol
LogP-0.40
Rot. Bonds2

About 2,6-diphenylselenopyran-1-ium perchlorate

2,6-diphenylselenopyran-1-ium perchlorate (PubChem CID 163609282) has the molecular formula C17H13ClO4Se and a molecular weight of 395.70 g/mol. Its IUPAC name is 2,6-diphenylselenopyran-1-ium perchlorate.

Molecular Properties

Compound Name2,6-diphenylselenopyran-1-ium perchlorate
PubChem CID163609282
Molecular FormulaC17H13ClO4Se
Molecular Weight395.70 g/mol
Exact Mass395.97
IUPAC Name2,6-diphenylselenopyran-1-ium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(-c3ccccc3)[se+]2)cc1
InChIInChI=1S/C17H13Se.ClHO4/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;2-1(3,4)5/h1-13H;(H,2,3,4,5)/q+1;/p-1
InChIKeyHEMUUIVRBLVSIF-UHFFFAOYSA-M
XLogP-0.40
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.70
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-phenylselenochromen-1-ium perchlorate
CID 45048079
beryllium;1,1'-biphenyl;hydride
CID 173156439
azulene;phosphane
CID 175448344
xanthylium perchlorate
CID 12535320
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
benzene;tris(1,1'-biphenyl)
CID 162155747
1-methyl-3,5-diphenylpyrazin-1-ium perchlorate
CID 12065475
2-methyl-5-phenyl-1,2-thiazol-2-ium perchlorate
CID 13434473
CID 69011285
CID 69011285
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate
CID 88746535
bis(1,1'-biphenyl);sulfane
CID 22247507

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenylselenopyran-1-ium perchlorate?
The IUPAC name of 2,6-diphenylselenopyran-1-ium perchlorate (CID 163609282) is 2,6-diphenylselenopyran-1-ium perchlorate.
What is the SMILES notation for 2,6-diphenylselenopyran-1-ium perchlorate?
The canonical SMILES for 2,6-diphenylselenopyran-1-ium perchlorate is [O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(-c3ccccc3)[se+]2)cc1.
What is the InChIKey of 2,6-diphenylselenopyran-1-ium perchlorate?
The InChIKey is HEMUUIVRBLVSIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13Se.ClHO4/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;2-1(3,4)5/h1-13H;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2,6-diphenylselenopyran-1-ium perchlorate?
2,6-diphenylselenopyran-1-ium perchlorate has a molecular weight of 395.70 g/mol, XLogP of -0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenylselenopyran-1-ium perchlorate is sourced from PubChem (CID 163609282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).