4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole

C34H26N2O — CID 135249657

IUPAC4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cn2)=N1
InChIInChI=1S/C34H26N2O/c1-34(2)21-37-33(36-34)30-19-18-23(20-35-30)31-26-13-5-7-15-28(26)32(29-16-8-6-14-27(29)31)25-17-9-11-22-10-3-4-12-24(22)25/h3-20H,21H2,1-2H3
InChIKeyKQWKWSYJQWVEEG-UHFFFAOYSA-N
MW478.60 g/mol
LogP8.43
Rot. Bonds3

About 4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole

4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole (PubChem CID 135249657) has the molecular formula C34H26N2O and a molecular weight of 478.60 g/mol. Its IUPAC name is 4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole
PubChem CID135249657
Molecular FormulaC34H26N2O
Molecular Weight478.60 g/mol
Exact Mass478.20
IUPAC Name4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cn2)=N1
InChIInChI=1S/C34H26N2O/c1-34(2)21-37-33(36-34)30-19-18-23(20-35-30)31-26-13-5-7-15-28(26)32(29-16-8-6-14-27(29)31)25-17-9-11-22-10-3-4-12-24(22)25/h3-20H,21H2,1-2H3
InChIKeyKQWKWSYJQWVEEG-UHFFFAOYSA-N
XLogP8.43
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole (CID 135249657) is 4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole is CC1(C)COC(c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cn2)=N1.
What is the InChIKey of 4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole?
The InChIKey is KQWKWSYJQWVEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O/c1-34(2)21-37-33(36-34)30-19-18-23(20-35-30)31-26-13-5-7-15-28(26)32(29-16-8-6-14-27(29)31)25-17-9-11-22-10-3-4-12-24(22)25/h3-20H,21H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole has a molecular weight of 478.60 g/mol, XLogP of 8.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole is sourced from PubChem (CID 135249657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).