2-[4-[10-(1,8-naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole

C36H22N4O — CID 59501363

IUPAC2-[4-[10-(1,8-naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5cnc6ncccc6c5)c5ccccc45)cc3)o2)cc1
InChIInChI=1S/C36H22N4O/c1-2-9-24(10-3-1)35-39-40-36(41-35)25-18-16-23(17-19-25)32-28-12-4-6-14-30(28)33(31-15-7-5-13-29(31)32)27-21-26-11-8-20-37-34(26)38-22-27/h1-22H
InChIKeyHIBGSQYHLZWRBQ-UHFFFAOYSA-N
MW526.60 g/mol
LogP8.99
Rot. Bonds4

About 2-[4-[10-(1,8-naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-[10-(1,8-naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 59501363) has the molecular formula C36H22N4O and a molecular weight of 526.60 g/mol. Its IUPAC name is 2-[4-[10-(1,8-naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[10-(1,8-naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID59501363
Molecular FormulaC36H22N4O
Molecular Weight526.60 g/mol
Exact Mass526.18
IUPAC Name2-[4-[10-(1,8-naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5cnc6ncccc6c5)c5ccccc45)cc3)o2)cc1
InChIInChI=1S/C36H22N4O/c1-2-9-24(10-3-1)35-39-40-36(41-35)25-18-16-23(17-19-25)32-28-12-4-6-14-30(28)33(31-15-7-5-13-29(31)32)27-21-26-11-8-20-37-34(26)38-22-27/h1-22H
InChIKeyHIBGSQYHLZWRBQ-UHFFFAOYSA-N
XLogP8.99
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[4-[10-(1,8-naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[10-(1,8-naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (CID 59501363) is 2-[4-[10-(1,8-naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[10-(1,8-naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[10-(1,8-naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5cnc6ncccc6c5)c5ccccc45)cc3)o2)cc1.
What is the InChIKey of 2-[4-[10-(1,8-naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is HIBGSQYHLZWRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O/c1-2-9-24(10-3-1)35-39-40-36(41-35)25-18-16-23(17-19-25)32-28-12-4-6-14-30(28)33(31-15-7-5-13-29(31)32)27-21-26-11-8-20-37-34(26)38-22-27/h1-22H.
What are the key properties of 2-[4-[10-(1,8-naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-[10-(1,8-naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 526.60 g/mol, XLogP of 8.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-(1,8-naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 59501363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).