2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

C40H34N2O — CID 59951420

IUPAC2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(-c4cc(C=Cc5ccccc5C)c(C)cc4/C=C/c4ccccc4C)cc3)o2)cc1
InChIInChI=1S/C40H34N2O/c1-27-13-15-34(16-14-27)39-41-42-40(43-39)35-21-19-33(20-22-35)38-26-36(23-17-31-11-7-5-9-28(31)2)30(4)25-37(38)24-18-32-12-8-6-10-29(32)3/h5-26H,1-4H3/b23-17?,24-18+
InChIKeyBAOXACNQKYVUKX-SEWMQASNSA-N
MW558.73 g/mol
LogP10.65
Rot. Bonds7

About 2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 59951420) has the molecular formula C40H34N2O and a molecular weight of 558.73 g/mol. Its IUPAC name is 2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID59951420
Molecular FormulaC40H34N2O
Molecular Weight558.73 g/mol
Exact Mass558.27
IUPAC Name2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(-c4cc(C=Cc5ccccc5C)c(C)cc4/C=C/c4ccccc4C)cc3)o2)cc1
InChIInChI=1S/C40H34N2O/c1-27-13-15-34(16-14-27)39-41-42-40(43-39)35-21-19-33(20-22-35)38-26-36(23-17-31-11-7-5-9-28(31)2)30(4)25-37(38)24-18-32-12-8-6-10-29(32)3/h5-26H,1-4H3/b23-17?,24-18+
InChIKeyBAOXACNQKYVUKX-SEWMQASNSA-N
XLogP10.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.73
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 59951420) is 2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3ccc(-c4cc(C=Cc5ccccc5C)c(C)cc4/C=C/c4ccccc4C)cc3)o2)cc1.
What is the InChIKey of 2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is BAOXACNQKYVUKX-SEWMQASNSA-N. The full InChI is InChI=1S/C40H34N2O/c1-27-13-15-34(16-14-27)39-41-42-40(43-39)35-21-19-33(20-22-35)38-26-36(23-17-31-11-7-5-9-28(31)2)30(4)25-37(38)24-18-32-12-8-6-10-29(32)3/h5-26H,1-4H3/b23-17?,24-18+.
What are the key properties of 2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 558.73 g/mol, XLogP of 10.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 59951420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).