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

C36H26N4O2 — CID 135249851

IUPAC2-[5-[10-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(-c2ccc3c(-c4ccc(C5=NCCO5)nc4)c4ccccc4c(-c4ccc(C5=NCCO5)nc4)c3c2)cc1
InChIInChI=1S/C36H26N4O2/c1-2-6-23(7-3-1)24-10-13-29-30(20-24)34(26-12-15-32(40-22-26)36-38-17-19-42-36)28-9-5-4-8-27(28)33(29)25-11-14-31(39-21-25)35-37-16-18-41-35/h1-15,20-22H,16-19H2
InChIKeyQBIDVTASYZPTKH-UHFFFAOYSA-N
MW546.63 g/mol
LogP7.34
Rot. Bonds5

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

2-[5-[10-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 135249851) has the molecular formula C36H26N4O2 and a molecular weight of 546.63 g/mol. Its IUPAC name is 2-[5-[10-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[10-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID135249851
Molecular FormulaC36H26N4O2
Molecular Weight546.63 g/mol
Exact Mass546.21
IUPAC Name2-[5-[10-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(-c2ccc3c(-c4ccc(C5=NCCO5)nc4)c4ccccc4c(-c4ccc(C5=NCCO5)nc4)c3c2)cc1
InChIInChI=1S/C36H26N4O2/c1-2-6-23(7-3-1)24-10-13-29-30(20-24)34(26-12-15-32(40-22-26)36-38-17-19-42-36)28-9-5-4-8-27(28)33(29)25-11-14-31(39-21-25)35-37-16-18-41-35/h1-15,20-22H,16-19H2
InChIKeyQBIDVTASYZPTKH-UHFFFAOYSA-N
XLogP7.34
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.63
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[5-[10-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[5-[10-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 135249851) is 2-[5-[10-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[5-[10-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[5-[10-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is c1ccc(-c2ccc3c(-c4ccc(C5=NCCO5)nc4)c4ccccc4c(-c4ccc(C5=NCCO5)nc4)c3c2)cc1.
What is the InChIKey of 2-[5-[10-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is QBIDVTASYZPTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4O2/c1-2-6-23(7-3-1)24-10-13-29-30(20-24)34(26-12-15-32(40-22-26)36-38-17-19-42-36)28-9-5-4-8-27(28)33(29)25-11-14-31(39-21-25)35-37-16-18-41-35/h1-15,20-22H,16-19H2.
What are the key properties of 2-[5-[10-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
2-[5-[10-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 546.63 g/mol, XLogP of 7.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[10-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135249851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).