3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene

C28H44Se2 — CID 176857858

IUPAC3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene
SMILESCCCCCCc1cc(C(C)C)[se]c1/C=C/c1[se]c(C(C)C)cc1CCCCCC
InChIInChI=1S/C28H44Se2/c1-7-9-11-13-15-23-19-27(21(3)4)29-25(23)17-18-26-24(16-14-12-10-8-2)20-28(30-26)22(5)6/h17-22H,7-16H2,1-6H3/b18-17+
InChIKeyRFSWPUHGDJKVPB-ISLYRVAYSA-N
MW538.58 g/mol
LogP8.46
Rot. Bonds14

About 3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene

3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene (PubChem CID 176857858) has the molecular formula C28H44Se2 and a molecular weight of 538.58 g/mol. Its IUPAC name is 3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene.

Molecular Properties

Compound Name3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene
PubChem CID176857858
Molecular FormulaC28H44Se2
Molecular Weight538.58 g/mol
Exact Mass540.18
IUPAC Name3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene
SMILESCCCCCCc1cc(C(C)C)[se]c1/C=C/c1[se]c(C(C)C)cc1CCCCCC
InChIInChI=1S/C28H44Se2/c1-7-9-11-13-15-23-19-27(21(3)4)29-25(23)17-18-26-24(16-14-12-10-8-2)20-28(30-26)22(5)6/h17-22H,7-16H2,1-6H3/b18-17+
InChIKeyRFSWPUHGDJKVPB-ISLYRVAYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.58
LogP ≤ 58.46
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'}

Analyze 3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis(bromomethyl)-2,5-didodecylbenzene
CID 11017447
3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran
CID 176857445
4,5-didecylbenzene-1,2-diol
CID 15667809
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
1-pentadecyl-2-propan-2-ylbenzene;sulfane
CID 174904763
2-octylphenol;tungsten
CID 157237523
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1,4-bis(chloromethyl)-2,5-didodecylbenzene
CID 71381372

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene?
The IUPAC name of 3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene (CID 176857858) is 3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene.
What is the SMILES notation for 3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene?
The canonical SMILES for 3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene is CCCCCCc1cc(C(C)C)[se]c1/C=C/c1[se]c(C(C)C)cc1CCCCCC.
What is the InChIKey of 3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene?
The InChIKey is RFSWPUHGDJKVPB-ISLYRVAYSA-N. The full InChI is InChI=1S/C28H44Se2/c1-7-9-11-13-15-23-19-27(21(3)4)29-25(23)17-18-26-24(16-14-12-10-8-2)20-28(30-26)22(5)6/h17-22H,7-16H2,1-6H3/b18-17+.
What are the key properties of 3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene?
3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene has a molecular weight of 538.58 g/mol, XLogP of 8.46, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-2-[(E)-2-(3-hexyl-5-propan-2-ylselenophen-2-yl)ethenyl]-5-propan-2-ylselenophene is sourced from PubChem (CID 176857858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).