3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane

C18H22N2O2Se2 — CID 11048737

IUPAC3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane
SMILESCOc1ccc(N2C[Se]CN(c3ccc(OC)cc3)C[Se]C2)cc1
InChIInChI=1S/C18H22N2O2Se2/c1-21-17-7-3-15(4-8-17)19-11-23-13-20(14-24-12-19)16-5-9-18(22-2)10-6-16/h3-10H,11-14H2,1-2H3
InChIKeyZIFVHODLYKFCHB-UHFFFAOYSA-N
MW456.31 g/mol
LogP2.27
Rot. Bonds4

About 3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane

3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane (PubChem CID 11048737) has the molecular formula C18H22N2O2Se2 and a molecular weight of 456.31 g/mol. Its IUPAC name is 3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane.

Molecular Properties

Compound Name3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane
PubChem CID11048737
Molecular FormulaC18H22N2O2Se2
Molecular Weight456.31 g/mol
Exact Mass458.00
IUPAC Name3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane
SMILESCOc1ccc(N2C[Se]CN(c3ccc(OC)cc3)C[Se]C2)cc1
InChIInChI=1S/C18H22N2O2Se2/c1-21-17-7-3-15(4-8-17)19-11-23-13-20(14-24-12-19)16-5-9-18(22-2)10-6-16/h3-10H,11-14H2,1-2H3
InChIKeyZIFVHODLYKFCHB-UHFFFAOYSA-N
XLogP2.27
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 10130315
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1,3-bis(4-methoxyphenyl)-2H-imidazole
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1-(4-methoxyphenyl)piperidin-4-amine;hydrochloride
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1-(4-methoxyphenyl)-4-sulfanylpiperazine;propane
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1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
CID 20519338
1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 117003289
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane?
The IUPAC name of 3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane (CID 11048737) is 3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane.
What is the SMILES notation for 3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane?
The canonical SMILES for 3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane is COc1ccc(N2C[Se]CN(c3ccc(OC)cc3)C[Se]C2)cc1.
What is the InChIKey of 3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane?
The InChIKey is ZIFVHODLYKFCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2Se2/c1-21-17-7-3-15(4-8-17)19-11-23-13-20(14-24-12-19)16-5-9-18(22-2)10-6-16/h3-10H,11-14H2,1-2H3.
What are the key properties of 3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane?
3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane has a molecular weight of 456.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane is sourced from PubChem (CID 11048737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).