4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene

C26H20Cl2O2Se — CID 162716901

IUPAC4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2cc(Cl)ccc2[Se]c2ccc(Cl)cc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H20Cl2O2Se/c1-29-21-9-3-17(4-10-21)23-15-19(27)7-13-25(23)31-26-14-8-20(28)16-24(26)18-5-11-22(30-2)12-6-18/h3-16H,1-2H3
InChIKeyNMCGZQLJXBUIER-UHFFFAOYSA-N
MW514.31 g/mol
LogP6.00
Rot. Bonds6

About 4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene

4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene (PubChem CID 162716901) has the molecular formula C26H20Cl2O2Se and a molecular weight of 514.31 g/mol. Its IUPAC name is 4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene
PubChem CID162716901
Molecular FormulaC26H20Cl2O2Se
Molecular Weight514.31 g/mol
Exact Mass514.00
IUPAC Name4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2cc(Cl)ccc2[Se]c2ccc(Cl)cc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H20Cl2O2Se/c1-29-21-9-3-17(4-10-21)23-15-19(27)7-13-25(23)31-26-14-8-20(28)16-24(26)18-5-11-22(30-2)12-6-18/h3-16H,1-2H3
InChIKeyNMCGZQLJXBUIER-UHFFFAOYSA-N
XLogP6.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.31
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene
CID 57130266
6-chloro-2-(4-chlorophenyl)-4-(4-methoxyphenyl)quinoline
CID 12026464
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
2-(4-chlorophenyl)-4-methoxyphenol
CID 57199343
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene
CID 141399604
4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene
CID 10048464
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134629678

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene?
The IUPAC name of 4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene (CID 162716901) is 4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene.
What is the SMILES notation for 4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene?
The canonical SMILES for 4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene is COc1ccc(-c2cc(Cl)ccc2[Se]c2ccc(Cl)cc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene?
The InChIKey is NMCGZQLJXBUIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2O2Se/c1-29-21-9-3-17(4-10-21)23-15-19(27)7-13-25(23)31-26-14-8-20(28)16-24(26)18-5-11-22(30-2)12-6-18/h3-16H,1-2H3.
What are the key properties of 4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene?
4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene has a molecular weight of 514.31 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene is sourced from PubChem (CID 162716901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).