bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene

C30H20F4I2Se4 — CID 139179229

IUPACbis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene
SMILESFc1c(F)c(I)c(F)c(F)c1I.c1ccc([Se][Se]c2ccccc2)cc1.c1ccc([Se][Se]c2ccccc2)cc1
InChIInChI=1S/2C12H10Se2.C6F4I2/c2*1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;7-1-2(8)6(12)4(10)3(9)5(1)11/h2*1-10H;
InChIKeyORYHETSLPUEPLK-UHFFFAOYSA-N
MW1026.13 g/mol
LogP5.37
Rot. Bonds6

About bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene

bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene (PubChem CID 139179229) has the molecular formula C30H20F4I2Se4 and a molecular weight of 1026.13 g/mol. Its IUPAC name is bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene.

Molecular Properties

Compound Namebis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene
PubChem CID139179229
Molecular FormulaC30H20F4I2Se4
Molecular Weight1026.13 g/mol
Exact Mass1029.63
IUPAC Namebis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene
SMILESFc1c(F)c(I)c(F)c(F)c1I.c1ccc([Se][Se]c2ccccc2)cc1.c1ccc([Se][Se]c2ccccc2)cc1
InChIInChI=1S/2C12H10Se2.C6F4I2/c2*1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;7-1-2(8)6(12)4(10)3(9)5(1)11/h2*1-10H;
InChIKeyORYHETSLPUEPLK-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001026.13
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

hydrogen peroxide;(phenyldiselanyl)benzene
CID 161157023
1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine
CID 139175725
phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene
CID 139178593
1,2,3,4,5-pentafluoro-6-phenylselanylbenzene
CID 12721561
N-ethylethanamine;(phenyldiselanyl)benzene
CID 87750147
1-(fluoromethyl)-2-(phenyldiselanyl)benzene
CID 100913909
diphenyl-bis(2,3,4,5-tetrafluoro-6-iodophenyl)germane
CID 635664
4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139205206
phenylselanylbenzene;dihydrochloride
CID 87206847
phenylselanylbenzene;dihydrochloride
CID 173104242
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
phenyl selenohypochlorite
CID 21928

Frequently Asked Questions

What is the IUPAC name of bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene?
The IUPAC name of bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene (CID 139179229) is bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene.
What is the SMILES notation for bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene?
The canonical SMILES for bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene is Fc1c(F)c(I)c(F)c(F)c1I.c1ccc([Se][Se]c2ccccc2)cc1.c1ccc([Se][Se]c2ccccc2)cc1.
What is the InChIKey of bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene?
The InChIKey is ORYHETSLPUEPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10Se2.C6F4I2/c2*1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;7-1-2(8)6(12)4(10)3(9)5(1)11/h2*1-10H;.
What are the key properties of bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene?
bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene has a molecular weight of 1026.13 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene is sourced from PubChem (CID 139179229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).