2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole

C42H28N2O — CID 135249724

IUPAC2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(C6=NCCO6)cn5)ccc34)ccc2c1
InChIInChI=1S/C42H28N2O/c1-3-9-29-23-32(15-13-27(29)7-1)40-35-11-5-6-12-36(35)41(33-16-14-28-8-2-4-10-30(28)24-33)38-25-31(17-19-37(38)40)39-20-18-34(26-44-39)42-43-21-22-45-42/h1-20,23-26H,21-22H2
InChIKeyALGBYZOQDAYKAM-UHFFFAOYSA-N
MW576.70 g/mol
LogP10.47
Rot. Bonds4

About 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole

2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 135249724) has the molecular formula C42H28N2O and a molecular weight of 576.70 g/mol. Its IUPAC name is 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID135249724
Molecular FormulaC42H28N2O
Molecular Weight576.70 g/mol
Exact Mass576.22
IUPAC Name2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(C6=NCCO6)cn5)ccc34)ccc2c1
InChIInChI=1S/C42H28N2O/c1-3-9-29-23-32(15-13-27(29)7-1)40-35-11-5-6-12-36(35)41(33-16-14-28-8-2-4-10-30(28)24-33)38-25-31(17-19-37(38)40)39-20-18-34(26-44-39)42-43-21-22-45-42/h1-20,23-26H,21-22H2
InChIKeyALGBYZOQDAYKAM-UHFFFAOYSA-N
XLogP10.47
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 135249724) is 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole is c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(C6=NCCO6)cn5)ccc34)ccc2c1.
What is the InChIKey of 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ALGBYZOQDAYKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O/c1-3-9-29-23-32(15-13-27(29)7-1)40-35-11-5-6-12-36(35)41(33-16-14-28-8-2-4-10-30(28)24-33)38-25-31(17-19-37(38)40)39-20-18-34(26-44-39)42-43-21-22-45-42/h1-20,23-26H,21-22H2.
What are the key properties of 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole?
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 576.70 g/mol, XLogP of 10.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135249724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).