2-phenyl-5-[4-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]phenyl]-1,3,4-oxadiazole

C39H25N3O — CID 59501393

IUPAC2-phenyl-5-[4-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)c4ccccc34)cn2)cc1
InChIInChI=1S/C39H25N3O/c1-3-11-26(12-4-1)35-24-23-30(25-40-35)37-33-17-9-7-15-31(33)36(32-16-8-10-18-34(32)37)27-19-21-29(22-20-27)39-42-41-38(43-39)28-13-5-2-6-14-28/h1-25H
InChIKeyWYABCZIGIFMTJP-UHFFFAOYSA-N
MW551.65 g/mol
LogP10.11
Rot. Bonds5

About 2-phenyl-5-[4-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]phenyl]-1,3,4-oxadiazole

2-phenyl-5-[4-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 59501393) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is 2-phenyl-5-[4-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]phenyl]-1,3,4-oxadiazole
PubChem CID59501393
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC Name2-phenyl-5-[4-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)c4ccccc34)cn2)cc1
InChIInChI=1S/C39H25N3O/c1-3-11-26(12-4-1)35-24-23-30(25-40-35)37-33-17-9-7-15-31(33)36(32-16-8-10-18-34(32)37)27-19-21-29(22-20-27)39-42-41-38(43-39)28-13-5-2-6-14-28/h1-25H
InChIKeyWYABCZIGIFMTJP-UHFFFAOYSA-N
XLogP10.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[4-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]phenyl]-1,3,4-oxadiazole (CID 59501393) is 2-phenyl-5-[4-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]phenyl]-1,3,4-oxadiazole is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)c4ccccc34)cn2)cc1.
What is the InChIKey of 2-phenyl-5-[4-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is WYABCZIGIFMTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c1-3-11-26(12-4-1)35-24-23-30(25-40-35)37-33-17-9-7-15-31(33)36(32-16-8-10-18-34(32)37)27-19-21-29(22-20-27)39-42-41-38(43-39)28-13-5-2-6-14-28/h1-25H.
What are the key properties of 2-phenyl-5-[4-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[4-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 551.65 g/mol, XLogP of 10.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 59501393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).