2-(4-chlorophenyl)-5-octyl-3-phenylselenophene

C24H27ClSe — CID 153406933

IUPAC2-(4-chlorophenyl)-5-octyl-3-phenylselenophene
SMILESCCCCCCCCc1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)[se]1
InChIInChI=1S/C24H27ClSe/c1-2-3-4-5-6-10-13-22-18-23(19-11-8-7-9-12-19)24(26-22)20-14-16-21(25)17-15-20/h7-9,11-12,14-18H,2-6,10,13H2,1H3
InChIKeyUBMYBCAERYSUNL-UHFFFAOYSA-N
MW429.89 g/mol
LogP7.63
Rot. Bonds9

About 2-(4-chlorophenyl)-5-octyl-3-phenylselenophene

2-(4-chlorophenyl)-5-octyl-3-phenylselenophene (PubChem CID 153406933) has the molecular formula C24H27ClSe and a molecular weight of 429.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-octyl-3-phenylselenophene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-octyl-3-phenylselenophene
PubChem CID153406933
Molecular FormulaC24H27ClSe
Molecular Weight429.89 g/mol
Exact Mass430.10
IUPAC Name2-(4-chlorophenyl)-5-octyl-3-phenylselenophene
SMILESCCCCCCCCc1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)[se]1
InChIInChI=1S/C24H27ClSe/c1-2-3-4-5-6-10-13-22-18-23(19-11-8-7-9-12-19)24(26-22)20-14-16-21(25)17-15-20/h7-9,11-12,14-18H,2-6,10,13H2,1H3
InChIKeyUBMYBCAERYSUNL-UHFFFAOYSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.89
LogP ≤ 57.63
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

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CID 158588704
1-pentadecyl-4-phenylbenzene
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CID 101479101
1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene
CID 160963410
2-chloro-4-pentyl-1-phenylbenzene
CID 139836929
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
3-(4-chlorophenyl)-4-hexylfuran
CID 91587269
1,1'-biphenyl;hexadecane
CID 173308514
2-octylazulene
CID 101406191
4-chloro-2-nitro-1-(4-octylphenyl)benzene
CID 54766745
1-hexyl-2,3-diphenylbenzene
CID 54065322
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-octyl-3-phenylselenophene?
The IUPAC name of 2-(4-chlorophenyl)-5-octyl-3-phenylselenophene (CID 153406933) is 2-(4-chlorophenyl)-5-octyl-3-phenylselenophene.
What is the SMILES notation for 2-(4-chlorophenyl)-5-octyl-3-phenylselenophene?
The canonical SMILES for 2-(4-chlorophenyl)-5-octyl-3-phenylselenophene is CCCCCCCCc1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)[se]1.
What is the InChIKey of 2-(4-chlorophenyl)-5-octyl-3-phenylselenophene?
The InChIKey is UBMYBCAERYSUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClSe/c1-2-3-4-5-6-10-13-22-18-23(19-11-8-7-9-12-19)24(26-22)20-14-16-21(25)17-15-20/h7-9,11-12,14-18H,2-6,10,13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-octyl-3-phenylselenophene?
2-(4-chlorophenyl)-5-octyl-3-phenylselenophene has a molecular weight of 429.89 g/mol, XLogP of 7.63, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-octyl-3-phenylselenophene is sourced from PubChem (CID 153406933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).