1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene

C24H23ClSe — CID 151338650

IUPAC1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene
SMILESCC(C)(C)c1ccc(C(=C[Se]c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23ClSe/c1-24(2,3)20-13-9-18(10-14-20)23(19-11-15-21(25)16-12-19)17-26-22-7-5-4-6-8-22/h4-17H,1-3H3
InChIKeyOJZKLUDSLDOMAN-UHFFFAOYSA-N
MW425.86 g/mol
LogP6.06
Rot. Bonds4

About 1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene

1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene (PubChem CID 151338650) has the molecular formula C24H23ClSe and a molecular weight of 425.86 g/mol. Its IUPAC name is 1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene
PubChem CID151338650
Molecular FormulaC24H23ClSe
Molecular Weight425.86 g/mol
Exact Mass426.07
IUPAC Name1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene
SMILESCC(C)(C)c1ccc(C(=C[Se]c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23ClSe/c1-24(2,3)20-13-9-18(10-14-20)23(19-11-15-21(25)16-12-19)17-26-22-7-5-4-6-8-22/h4-17H,1-3H3
InChIKeyOJZKLUDSLDOMAN-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.86
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-tert-butylphenyl)-2-phenylselanylethenyl] thiocyanate
CID 171780191
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
1-chloro-4-tritylbenzene
CID 14737307
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-3,5-difluorobenzene;1-tert-butyl-4-fluorobenzene;ethane
CID 159434931
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one
CID 43160394
(Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 20838904
(4-chlorophenyl)-phenylselanylmethanethione
CID 14249100
1-(4-tert-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
CID 4531799
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
tert-butylbenzene;chloromethane;ethane
CID 91149652
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene?
The IUPAC name of 1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene (CID 151338650) is 1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene is CC(C)(C)c1ccc(C(=C[Se]c2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene?
The InChIKey is OJZKLUDSLDOMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClSe/c1-24(2,3)20-13-9-18(10-14-20)23(19-11-15-21(25)16-12-19)17-26-22-7-5-4-6-8-22/h4-17H,1-3H3.
What are the key properties of 1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene?
1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene has a molecular weight of 425.86 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene is sourced from PubChem (CID 151338650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).