5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole

C26H24N8O4 — CID 2946268

IUPAC5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-n2nnnc2C(=Cc2ccc(OC)c(OC)c2)c2nnnn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24N8O4/c1-35-20-10-6-18(7-11-20)33-25(27-29-31-33)22(15-17-5-14-23(37-3)24(16-17)38-4)26-28-30-32-34(26)19-8-12-21(36-2)13-9-19/h5-16H,1-4H3
InChIKeyVADZBSXBUWNFLT-UHFFFAOYSA-N
MW512.53 g/mol
LogP3.26
Rot. Bonds9

About 5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole

5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole (PubChem CID 2946268) has the molecular formula C26H24N8O4 and a molecular weight of 512.53 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole
PubChem CID2946268
Molecular FormulaC26H24N8O4
Molecular Weight512.53 g/mol
Exact Mass512.19
IUPAC Name5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-n2nnnc2C(=Cc2ccc(OC)c(OC)c2)c2nnnn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24N8O4/c1-35-20-10-6-18(7-11-20)33-25(27-29-31-33)22(15-17-5-14-23(37-3)24(16-17)38-4)26-28-30-32-34(26)19-8-12-21(36-2)13-9-19/h5-16H,1-4H3
InChIKeyVADZBSXBUWNFLT-UHFFFAOYSA-N
XLogP3.26
TPSA124.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.53
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole (CID 2946268) is 5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole is COc1ccc(-n2nnnc2C(=Cc2ccc(OC)c(OC)c2)c2nnnn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole?
The InChIKey is VADZBSXBUWNFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O4/c1-35-20-10-6-18(7-11-20)33-25(27-29-31-33)22(15-17-5-14-23(37-3)24(16-17)38-4)26-28-30-32-34(26)19-8-12-21(36-2)13-9-19/h5-16H,1-4H3.
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole?
5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole has a molecular weight of 512.53 g/mol, XLogP of 3.26, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole is sourced from PubChem (CID 2946268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).