2-(2-methylbutan-2-yloxy)-9-phenylacridine

C24H23NO — CID 175443882

IUPAC2-(2-methylbutan-2-yloxy)-9-phenylacridine
SMILESCCC(C)(C)Oc1ccc2nc3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C24H23NO/c1-4-24(2,3)26-18-14-15-22-20(16-18)23(17-10-6-5-7-11-17)19-12-8-9-13-21(19)25-22/h5-16H,4H2,1-3H3
InChIKeyRWKDWHCPWIYCRB-UHFFFAOYSA-N
MW341.45 g/mol
LogP6.62
Rot. Bonds4

About 2-(2-methylbutan-2-yloxy)-9-phenylacridine

2-(2-methylbutan-2-yloxy)-9-phenylacridine (PubChem CID 175443882) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yloxy)-9-phenylacridine.

Molecular Properties

Compound Name2-(2-methylbutan-2-yloxy)-9-phenylacridine
PubChem CID175443882
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name2-(2-methylbutan-2-yloxy)-9-phenylacridine
SMILESCCC(C)(C)Oc1ccc2nc3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C24H23NO/c1-4-24(2,3)26-18-14-15-22-20(16-18)23(17-10-6-5-7-11-17)19-12-8-9-13-21(19)25-22/h5-16H,4H2,1-3H3
InChIKeyRWKDWHCPWIYCRB-UHFFFAOYSA-N
XLogP6.62
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-methylbutan-2-yloxy)-9-phenylacridine?
The IUPAC name of 2-(2-methylbutan-2-yloxy)-9-phenylacridine (CID 175443882) is 2-(2-methylbutan-2-yloxy)-9-phenylacridine.
What is the SMILES notation for 2-(2-methylbutan-2-yloxy)-9-phenylacridine?
The canonical SMILES for 2-(2-methylbutan-2-yloxy)-9-phenylacridine is CCC(C)(C)Oc1ccc2nc3ccccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 2-(2-methylbutan-2-yloxy)-9-phenylacridine?
The InChIKey is RWKDWHCPWIYCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-4-24(2,3)26-18-14-15-22-20(16-18)23(17-10-6-5-7-11-17)19-12-8-9-13-21(19)25-22/h5-16H,4H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yloxy)-9-phenylacridine?
2-(2-methylbutan-2-yloxy)-9-phenylacridine has a molecular weight of 341.45 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yloxy)-9-phenylacridine is sourced from PubChem (CID 175443882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).