5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine

C28H18N8S4 — CID 122542118

IUPAC5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(C)s6)n6nnnc56)s4)s3)c3nnnn23)s1
InChIInChI=1S/C28H18N8S4/c1-15-3-9-23(37-15)19-7-5-17(27-29-31-33-35(19)27)21-11-13-25(39-21)26-14-12-22(40-26)18-6-8-20(24-10-4-16(2)38-24)36-28(18)30-32-34-36/h3-14H,1-2H3
InChIKeyZXLXJKOGHJPJIN-UHFFFAOYSA-N
MW594.78 g/mol
LogP7.76
Rot. Bonds5

About 5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine

5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine (PubChem CID 122542118) has the molecular formula C28H18N8S4 and a molecular weight of 594.78 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine
PubChem CID122542118
Molecular FormulaC28H18N8S4
Molecular Weight594.78 g/mol
Exact Mass594.05
IUPAC Name5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(C)s6)n6nnnc56)s4)s3)c3nnnn23)s1
InChIInChI=1S/C28H18N8S4/c1-15-3-9-23(37-15)19-7-5-17(27-29-31-33-35(19)27)21-11-13-25(39-21)26-14-12-22(40-26)18-6-8-20(24-10-4-16(2)38-24)36-28(18)30-32-34-36/h3-14H,1-2H3
InChIKeyZXLXJKOGHJPJIN-UHFFFAOYSA-N
XLogP7.76
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500594.78
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine?
The IUPAC name of 5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine (CID 122542118) is 5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine is Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(C)s6)n6nnnc56)s4)s3)c3nnnn23)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine?
The InChIKey is ZXLXJKOGHJPJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N8S4/c1-15-3-9-23(37-15)19-7-5-17(27-29-31-33-35(19)27)21-11-13-25(39-21)26-14-12-22(40-26)18-6-8-20(24-10-4-16(2)38-24)36-28(18)30-32-34-36/h3-14H,1-2H3.
What are the key properties of 5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine?
5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine has a molecular weight of 594.78 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-8-[5-[5-[5-(5-methylthiophen-2-yl)tetrazolo[1,5-a]pyridin-8-yl]thiophen-2-yl]thiophen-2-yl]tetrazolo[1,5-a]pyridine is sourced from PubChem (CID 122542118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).