1-pentyl-4-(4-pentylphenyl)selanylbenzene

C22H30Se — CID 175028918

IUPAC1-pentyl-4-(4-pentylphenyl)selanylbenzene
SMILESCCCCCc1ccc([Se]c2ccc(CCCCC)cc2)cc1
InChIInChI=1S/C22H30Se/c1-3-5-7-9-19-11-15-21(16-12-19)23-22-17-13-20(14-18-22)10-8-6-4-2/h11-18H,3-10H2,1-2H3
InChIKeyNSYYGABOAIRROI-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.81
Rot. Bonds10

About 1-pentyl-4-(4-pentylphenyl)selanylbenzene

1-pentyl-4-(4-pentylphenyl)selanylbenzene (PubChem CID 175028918) has the molecular formula C22H30Se and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-pentyl-4-(4-pentylphenyl)selanylbenzene.

Molecular Properties

Compound Name1-pentyl-4-(4-pentylphenyl)selanylbenzene
PubChem CID175028918
Molecular FormulaC22H30Se
Molecular Weight373.44 g/mol
Exact Mass374.15
IUPAC Name1-pentyl-4-(4-pentylphenyl)selanylbenzene
SMILESCCCCCc1ccc([Se]c2ccc(CCCCC)cc2)cc1
InChIInChI=1S/C22H30Se/c1-3-5-7-9-19-11-15-21(16-12-19)23-22-17-13-20(14-18-22)10-8-6-4-2/h11-18H,3-10H2,1-2H3
InChIKeyNSYYGABOAIRROI-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-nonylbenzene
CID 59545302
1,2,3,4,5,6,7,8,9,10-decakis[(4-butylphenyl)selanyl]pyrene
CID 177408821
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-ethyl-4-octacosylbenzene
CID 175218304
CID 57470906
CID 57470906
1-methyl-4-octylbenzene
CID 11052746
4-(4-hexylphenyl)butyl-dimethylphosphane
CID 142018377
4-heptyl-N,N-dimethylaniline
CID 20777180
(4-undecylphenyl)methanethiol
CID 152658546
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-(4-pentylphenyl)selanylbenzene?
The IUPAC name of 1-pentyl-4-(4-pentylphenyl)selanylbenzene (CID 175028918) is 1-pentyl-4-(4-pentylphenyl)selanylbenzene.
What is the SMILES notation for 1-pentyl-4-(4-pentylphenyl)selanylbenzene?
The canonical SMILES for 1-pentyl-4-(4-pentylphenyl)selanylbenzene is CCCCCc1ccc([Se]c2ccc(CCCCC)cc2)cc1.
What is the InChIKey of 1-pentyl-4-(4-pentylphenyl)selanylbenzene?
The InChIKey is NSYYGABOAIRROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Se/c1-3-5-7-9-19-11-15-21(16-12-19)23-22-17-13-20(14-18-22)10-8-6-4-2/h11-18H,3-10H2,1-2H3.
What are the key properties of 1-pentyl-4-(4-pentylphenyl)selanylbenzene?
1-pentyl-4-(4-pentylphenyl)selanylbenzene has a molecular weight of 373.44 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-(4-pentylphenyl)selanylbenzene is sourced from PubChem (CID 175028918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).