4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol

C23H29NOSe — CID 134919738

IUPAC4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol
SMILESCCCCCC1=NC(O)(CC)CC(c2ccccc2)(c2ccccc2)[Se]1
InChIInChI=1S/C23H29NOSe/c1-3-5-8-17-21-24-22(25,4-2)18-23(26-21,19-13-9-6-10-14-19)20-15-11-7-12-16-20/h6-7,9-16,25H,3-5,8,17-18H2,1-2H3
InChIKeyRTWFGHUYZQEOHH-UHFFFAOYSA-N
MW414.45 g/mol
LogP5.12
Rot. Bonds7

About 4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol

4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol (PubChem CID 134919738) has the molecular formula C23H29NOSe and a molecular weight of 414.45 g/mol. Its IUPAC name is 4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol.

Molecular Properties

Compound Name4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol
PubChem CID134919738
Molecular FormulaC23H29NOSe
Molecular Weight414.45 g/mol
Exact Mass415.14
IUPAC Name4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol
SMILESCCCCCC1=NC(O)(CC)CC(c2ccccc2)(c2ccccc2)[Se]1
InChIInChI=1S/C23H29NOSe/c1-3-5-8-17-21-24-22(25,4-2)18-23(26-21,19-13-9-6-10-14-19)20-15-11-7-12-16-20/h6-7,9-16,25H,3-5,8,17-18H2,1-2H3
InChIKeyRTWFGHUYZQEOHH-UHFFFAOYSA-N
XLogP5.12
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol?
The IUPAC name of 4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol (CID 134919738) is 4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol.
What is the SMILES notation for 4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol?
The canonical SMILES for 4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol is CCCCCC1=NC(O)(CC)CC(c2ccccc2)(c2ccccc2)[Se]1.
What is the InChIKey of 4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol?
The InChIKey is RTWFGHUYZQEOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NOSe/c1-3-5-8-17-21-24-22(25,4-2)18-23(26-21,19-13-9-6-10-14-19)20-15-11-7-12-16-20/h6-7,9-16,25H,3-5,8,17-18H2,1-2H3.
What are the key properties of 4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol?
4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol has a molecular weight of 414.45 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol is sourced from PubChem (CID 134919738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).