1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene

C26H16Cl2Se2 — CID 102492909

IUPAC1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene
SMILESClc1cccc2cccc([Se]c3ccc([Se]c4cccc5cccc(Cl)c45)cc3)c12
InChIInChI=1S/C26H16Cl2Se2/c27-21-9-1-5-17-7-3-11-23(25(17)21)29-19-13-15-20(16-14-19)30-24-12-4-8-18-6-2-10-22(28)26(18)24/h1-16H
InChIKeyMQLWVQRWGQZLML-UHFFFAOYSA-N
MW557.24 g/mol
LogP4.61
Rot. Bonds4

About 1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene

1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene (PubChem CID 102492909) has the molecular formula C26H16Cl2Se2 and a molecular weight of 557.24 g/mol. Its IUPAC name is 1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene.

Molecular Properties

Compound Name1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene
PubChem CID102492909
Molecular FormulaC26H16Cl2Se2
Molecular Weight557.24 g/mol
Exact Mass557.90
IUPAC Name1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene
SMILESClc1cccc2cccc([Se]c3ccc([Se]c4cccc5cccc(Cl)c45)cc3)c12
InChIInChI=1S/C26H16Cl2Se2/c27-21-9-1-5-17-7-3-11-23(25(17)21)29-19-13-15-20(16-14-19)30-24-12-4-8-18-6-2-10-22(28)26(18)24/h1-16H
InChIKeyMQLWVQRWGQZLML-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.24
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene?
The IUPAC name of 1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene (CID 102492909) is 1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene.
What is the SMILES notation for 1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene?
The canonical SMILES for 1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene is Clc1cccc2cccc([Se]c3ccc([Se]c4cccc5cccc(Cl)c45)cc3)c12.
What is the InChIKey of 1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene?
The InChIKey is MQLWVQRWGQZLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2Se2/c27-21-9-1-5-17-7-3-11-23(25(17)21)29-19-13-15-20(16-14-19)30-24-12-4-8-18-6-2-10-22(28)26(18)24/h1-16H.
What are the key properties of 1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene?
1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene has a molecular weight of 557.24 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-[4-(8-chloronaphthalen-1-yl)selanylphenyl]selanylnaphthalene is sourced from PubChem (CID 102492909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).