8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole

C23H20N2O3Se — CID 88638496

IUPAC8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole
SMILESCOc1cc2c(cc1OCc1cccc3ccccc13)OC(C)(C)c1[se]nnc1-2
InChIInChI=1S/C23H20N2O3Se/c1-23(2)22-21(24-25-29-22)17-11-19(26-3)20(12-18(17)28-23)27-13-15-9-6-8-14-7-4-5-10-16(14)15/h4-12H,13H2,1-3H3
InChIKeyGZWHFIRQFFISLW-UHFFFAOYSA-N
MW451.38 g/mol
LogP4.57
Rot. Bonds4

About 8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole

8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole (PubChem CID 88638496) has the molecular formula C23H20N2O3Se and a molecular weight of 451.38 g/mol. Its IUPAC name is 8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole.

Molecular Properties

Compound Name8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole
PubChem CID88638496
Molecular FormulaC23H20N2O3Se
Molecular Weight451.38 g/mol
Exact Mass452.06
IUPAC Name8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole
SMILESCOc1cc2c(cc1OCc1cccc3ccccc13)OC(C)(C)c1[se]nnc1-2
InChIInChI=1S/C23H20N2O3Se/c1-23(2)22-21(24-25-29-22)17-11-19(26-3)20(12-18(17)28-23)27-13-15-9-6-8-14-7-4-5-10-16(14)15/h4-12H,13H2,1-3H3
InChIKeyGZWHFIRQFFISLW-UHFFFAOYSA-N
XLogP4.57
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole?
The IUPAC name of 8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole (CID 88638496) is 8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole.
What is the SMILES notation for 8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole?
The canonical SMILES for 8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole is COc1cc2c(cc1OCc1cccc3ccccc13)OC(C)(C)c1[se]nnc1-2.
What is the InChIKey of 8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole?
The InChIKey is GZWHFIRQFFISLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3Se/c1-23(2)22-21(24-25-29-22)17-11-19(26-3)20(12-18(17)28-23)27-13-15-9-6-8-14-7-4-5-10-16(14)15/h4-12H,13H2,1-3H3.
What are the key properties of 8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole?
8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole has a molecular weight of 451.38 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole is sourced from PubChem (CID 88638496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).