3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene

C16H12Cl2Se — CID 134982285

IUPAC3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene
SMILESClc1ccccc1C1=C(c2ccccc2Cl)C[Se]C1
InChIInChI=1S/C16H12Cl2Se/c17-15-7-3-1-5-11(15)13-9-19-10-14(13)12-6-2-4-8-16(12)18/h1-8H,9-10H2
InChIKeyWSQVTUVYAXEWCQ-UHFFFAOYSA-N
MW354.14 g/mol
LogP5.46
Rot. Bonds2

About 3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene

3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene (PubChem CID 134982285) has the molecular formula C16H12Cl2Se and a molecular weight of 354.14 g/mol. Its IUPAC name is 3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene.

Molecular Properties

Compound Name3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene
PubChem CID134982285
Molecular FormulaC16H12Cl2Se
Molecular Weight354.14 g/mol
Exact Mass353.95
IUPAC Name3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene
SMILESClc1ccccc1C1=C(c2ccccc2Cl)C[Se]C1
InChIInChI=1S/C16H12Cl2Se/c17-15-7-3-1-5-11(15)13-9-19-10-14(13)12-6-2-4-8-16(12)18/h1-8H,9-10H2
InChIKeyWSQVTUVYAXEWCQ-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.14
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichlorobenzene;hydrate;hydrochloride
CID 141479272
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
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3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride
CID 174661750
azane;1,2-dichlorobenzene
CID 70584322
2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene
CID 173450499
2-(2-chlorophenyl)benzene-1,3-diol
CID 163363337
4-(2-chlorophenyl)triazine
CID 22902708
1-chloro-2-phenylbenzene;phosphorous acid
CID 174579348
3-chloro-2-(2-chlorophenyl)phenol
CID 69117513
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
1-bromo-4-(2-chlorophenyl)benzene
CID 12939408
(1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol
CID 146166066

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene?
The IUPAC name of 3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene (CID 134982285) is 3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene.
What is the SMILES notation for 3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene?
The canonical SMILES for 3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene is Clc1ccccc1C1=C(c2ccccc2Cl)C[Se]C1.
What is the InChIKey of 3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene?
The InChIKey is WSQVTUVYAXEWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2Se/c17-15-7-3-1-5-11(15)13-9-19-10-14(13)12-6-2-4-8-16(12)18/h1-8H,9-10H2.
What are the key properties of 3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene?
3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene has a molecular weight of 354.14 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene is sourced from PubChem (CID 134982285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).