2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

C34H22N8O2 — CID 159199895

IUPAC2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESC=Cc1cccc(-c2ccc(-c3nnc(-c4cccc(-c5nnc(-c6ccc(-c7cccc(C=C)n7)nc6)o5)c4)o3)cn2)n1
InChIInChI=1S/C34H22N8O2/c1-3-25-10-6-12-29(37-25)27-16-14-23(19-35-27)33-41-39-31(43-33)21-8-5-9-22(18-21)32-40-42-34(44-32)24-15-17-28(36-20-24)30-13-7-11-26(4-2)38-30/h3-20H,1-2H2
InChIKeyKPDPIWKNXBTMIQ-UHFFFAOYSA-N
MW574.60 g/mol
LogP7.32
Rot. Bonds8

About 2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 159199895) has the molecular formula C34H22N8O2 and a molecular weight of 574.60 g/mol. Its IUPAC name is 2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
PubChem CID159199895
Molecular FormulaC34H22N8O2
Molecular Weight574.60 g/mol
Exact Mass574.19
IUPAC Name2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESC=Cc1cccc(-c2ccc(-c3nnc(-c4cccc(-c5nnc(-c6ccc(-c7cccc(C=C)n7)nc6)o5)c4)o3)cn2)n1
InChIInChI=1S/C34H22N8O2/c1-3-25-10-6-12-29(37-25)27-16-14-23(19-35-27)33-41-39-31(43-33)21-8-5-9-22(18-21)32-40-42-34(44-32)24-15-17-28(36-20-24)30-13-7-11-26(4-2)38-30/h3-20H,1-2H2
InChIKeyKPDPIWKNXBTMIQ-UHFFFAOYSA-N
XLogP7.32
TPSA129.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.60
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (CID 159199895) is 2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is C=Cc1cccc(-c2ccc(-c3nnc(-c4cccc(-c5nnc(-c6ccc(-c7cccc(C=C)n7)nc6)o5)c4)o3)cn2)n1.
What is the InChIKey of 2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is KPDPIWKNXBTMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N8O2/c1-3-25-10-6-12-29(37-25)27-16-14-23(19-35-27)33-41-39-31(43-33)21-8-5-9-22(18-21)32-40-42-34(44-32)24-15-17-28(36-20-24)30-13-7-11-26(4-2)38-30/h3-20H,1-2H2.
What are the key properties of 2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 574.60 g/mol, XLogP of 7.32, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-5-[3-[5-[6-(6-ethenyl-2-pyridinyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 159199895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).