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

C43H27N3O — CID 59501397

IUPAC2-[4-[10-(6-naphthalen-1-yl-3-pyridinyl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)nc5)c5ccccc45)cc3)o2)cc1
InChIInChI=1S/C43H27N3O/c1-2-12-30(13-3-1)42-45-46-43(47-42)31-23-21-29(22-24-31)40-35-16-6-8-18-37(35)41(38-19-9-7-17-36(38)40)32-25-26-39(44-27-32)34-20-10-14-28-11-4-5-15-33(28)34/h1-27H
InChIKeyVPLSTSIGYIQKSM-UHFFFAOYSA-N
MW601.71 g/mol
LogP11.26
Rot. Bonds5

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

2-[4-[10-(6-naphthalen-1-yl-3-pyridinyl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 59501397) has the molecular formula C43H27N3O and a molecular weight of 601.71 g/mol. Its IUPAC name is 2-[4-[10-(6-naphthalen-1-yl-3-pyridinyl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[10-(6-naphthalen-1-yl-3-pyridinyl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID59501397
Molecular FormulaC43H27N3O
Molecular Weight601.71 g/mol
Exact Mass601.22
IUPAC Name2-[4-[10-(6-naphthalen-1-yl-3-pyridinyl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)nc5)c5ccccc45)cc3)o2)cc1
InChIInChI=1S/C43H27N3O/c1-2-12-30(13-3-1)42-45-46-43(47-42)31-23-21-29(22-24-31)40-35-16-6-8-18-37(35)41(38-19-9-7-17-36(38)40)32-25-26-39(44-27-32)34-20-10-14-28-11-4-5-15-33(28)34/h1-27H
InChIKeyVPLSTSIGYIQKSM-UHFFFAOYSA-N
XLogP11.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 511.26
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-[4-[10-(6-naphthalen-1-yl-3-pyridinyl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[10-(6-naphthalen-1-yl-3-pyridinyl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (CID 59501397) is 2-[4-[10-(6-naphthalen-1-yl-3-pyridinyl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[10-(6-naphthalen-1-yl-3-pyridinyl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[10-(6-naphthalen-1-yl-3-pyridinyl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)nc5)c5ccccc45)cc3)o2)cc1.
What is the InChIKey of 2-[4-[10-(6-naphthalen-1-yl-3-pyridinyl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is VPLSTSIGYIQKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O/c1-2-12-30(13-3-1)42-45-46-43(47-42)31-23-21-29(22-24-31)40-35-16-6-8-18-37(35)41(38-19-9-7-17-36(38)40)32-25-26-39(44-27-32)34-20-10-14-28-11-4-5-15-33(28)34/h1-27H.
What are the key properties of 2-[4-[10-(6-naphthalen-1-yl-3-pyridinyl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-[10-(6-naphthalen-1-yl-3-pyridinyl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 601.71 g/mol, XLogP of 11.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-(6-naphthalen-1-yl-3-pyridinyl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 59501397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).