CID 6394584

C25H24HgI2P2Se2 — CID 6394584

IUPAC—
SMILESI[Hg]I.[H][Se]=P(CP(=[Se][H])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24P2Se2.Hg.2HI/c28-26(22-13-5-1-6-14-22,23-15-7-2-8-16-23)21-27(29,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;;/h1-20,28-29H,21H2;;2*1H/q;+2;;/p-2
InChIKeyZIZAJDYNPDNSKY-UHFFFAOYSA-L
MW998.73 g/mol
LogP5.68
Rot. Bonds6

About CID 6394584

CID 6394584 (PubChem CID 6394584) has the molecular formula C25H24HgI2P2Se2 and a molecular weight of 998.73 g/mol.

Molecular Properties

Compound NameCID 6394584
PubChem CID6394584
Molecular FormulaC25H24HgI2P2Se2
Molecular Weight998.73 g/mol
Exact Mass1001.75
IUPAC Name—
SMILESI[Hg]I.[H][Se]=P(CP(=[Se][H])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24P2Se2.Hg.2HI/c28-26(22-13-5-1-6-14-22,23-15-7-2-8-16-23)21-27(29,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;;/h1-20,28-29H,21H2;;2*1H/q;+2;;/p-2
InChIKeyZIZAJDYNPDNSKY-UHFFFAOYSA-L
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.73
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 6394583
CID 6394583
diphenylphosphinoselenoylmethyl-diphenyl-selanylidene-lambda5-phosphane
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CID 154702808
magnesium;hydride;methyl(phenyl)phosphinic acid
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diiodomercury;tribenzyl(iodo)-λ4-sulfane
CID 134927805
1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea
CID 164745970
CID 66766975
CID 66766975
phenylphosphonic acid;terbium
CID 175289814
diphenylphosphinic acid chloride
CID 53401992
dibromomethylidene(triphenyl)-λ5-phosphane
CID 11122938
phenylphosphonic acid;phosphane
CID 157219344

Frequently Asked Questions

What is the IUPAC name of CID 6394584?
The IUPAC name of CID 6394584 (CID 6394584) is not available.
What is the SMILES notation for CID 6394584?
The canonical SMILES for CID 6394584 is I[Hg]I.[H][Se]=P(CP(=[Se][H])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 6394584?
The InChIKey is ZIZAJDYNPDNSKY-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H24P2Se2.Hg.2HI/c28-26(22-13-5-1-6-14-22,23-15-7-2-8-16-23)21-27(29,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;;/h1-20,28-29H,21H2;;2*1H/q;+2;;/p-2.
What are the key properties of CID 6394584?
CID 6394584 has a molecular weight of 998.73 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6394584 is sourced from PubChem (CID 6394584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).