2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole

C34H30N4O2 — CID 135249897

IUPAC2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)CO5)nc4)c4ccccc34)cn2)=N1
InChIInChI=1S/C34H30N4O2/c1-33(2)19-39-31(37-33)27-15-13-21(17-35-27)29-23-9-5-7-11-25(23)30(26-12-8-6-10-24(26)29)22-14-16-28(36-18-22)32-38-34(3,4)20-40-32/h5-18H,19-20H2,1-4H3
InChIKeyUUNNGHQABYBHAR-UHFFFAOYSA-N
MW526.64 g/mol
LogP7.23
Rot. Bonds4

About 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole

2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135249897) has the molecular formula C34H30N4O2 and a molecular weight of 526.64 g/mol. Its IUPAC name is 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID135249897
Molecular FormulaC34H30N4O2
Molecular Weight526.64 g/mol
Exact Mass526.24
IUPAC Name2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)CO5)nc4)c4ccccc34)cn2)=N1
InChIInChI=1S/C34H30N4O2/c1-33(2)19-39-31(37-33)27-15-13-21(17-35-27)29-23-9-5-7-11-25(23)30(26-12-8-6-10-24(26)29)22-14-16-28(36-18-22)32-38-34(3,4)20-40-32/h5-18H,19-20H2,1-4H3
InChIKeyUUNNGHQABYBHAR-UHFFFAOYSA-N
XLogP7.23
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135249897) is 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)CO5)nc4)c4ccccc34)cn2)=N1.
What is the InChIKey of 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is UUNNGHQABYBHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O2/c1-33(2)19-39-31(37-33)27-15-13-21(17-35-27)29-23-9-5-7-11-25(23)30(26-12-8-6-10-24(26)29)22-14-16-28(36-18-22)32-38-34(3,4)20-40-32/h5-18H,19-20H2,1-4H3.
What are the key properties of 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 526.64 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135249897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).