2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole

C28H18N2O — CID 146763008

IUPAC2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)o2)cc1
InChIInChI=1S/C28H18N2O/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(24-18-10-8-16-22(24)25)28-30-29-27(31-28)20-13-5-2-6-14-20/h1-18H
InChIKeyRPUIBGGGISLRMO-UHFFFAOYSA-N
MW398.47 g/mol
LogP7.38
Rot. Bonds3

About 2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole

2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole (PubChem CID 146763008) has the molecular formula C28H18N2O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole
PubChem CID146763008
Molecular FormulaC28H18N2O
Molecular Weight398.47 g/mol
Exact Mass398.14
IUPAC Name2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)o2)cc1
InChIInChI=1S/C28H18N2O/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(24-18-10-8-16-22(24)25)28-30-29-27(31-28)20-13-5-2-6-14-20/h1-18H
InChIKeyRPUIBGGGISLRMO-UHFFFAOYSA-N
XLogP7.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole (CID 146763008) is 2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)o2)cc1.
What is the InChIKey of 2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole?
The InChIKey is RPUIBGGGISLRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(24-18-10-8-16-22(24)25)28-30-29-27(31-28)20-13-5-2-6-14-20/h1-18H.
What are the key properties of 2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole?
2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole has a molecular weight of 398.47 g/mol, XLogP of 7.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 146763008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).