9-(8-bromonaphthalen-1-yl)-4-propan-2-ylacridine

C26H20BrN — CID 87209815

IUPAC9-(8-bromonaphthalen-1-yl)-4-propan-2-ylacridine
SMILESCC(C)c1cccc2c(-c3cccc4cccc(Br)c34)c3ccccc3nc12
InChIInChI=1S/C26H20BrN/c1-16(2)18-11-7-13-21-25(19-10-3-4-15-23(19)28-26(18)21)20-12-5-8-17-9-6-14-22(27)24(17)20/h3-16H,1-2H3
InChIKeyYGPXAHSTSOGWFP-UHFFFAOYSA-N
MW426.36 g/mol
LogP8.09
Rot. Bonds2

About 9-(8-bromonaphthalen-1-yl)-4-propan-2-ylacridine

9-(8-bromonaphthalen-1-yl)-4-propan-2-ylacridine (PubChem CID 87209815) has the molecular formula C26H20BrN and a molecular weight of 426.36 g/mol. Its IUPAC name is 9-(8-bromonaphthalen-1-yl)-4-propan-2-ylacridine.

Molecular Properties

Compound Name9-(8-bromonaphthalen-1-yl)-4-propan-2-ylacridine
PubChem CID87209815
Molecular FormulaC26H20BrN
Molecular Weight426.36 g/mol
Exact Mass425.08
IUPAC Name9-(8-bromonaphthalen-1-yl)-4-propan-2-ylacridine
SMILESCC(C)c1cccc2c(-c3cccc4cccc(Br)c34)c3ccccc3nc12
InChIInChI=1S/C26H20BrN/c1-16(2)18-11-7-13-21-25(19-10-3-4-15-23(19)28-26(18)21)20-12-5-8-17-9-6-14-22(27)24(17)20/h3-16H,1-2H3
InChIKeyYGPXAHSTSOGWFP-UHFFFAOYSA-N
XLogP8.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.36
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 9-(8-bromonaphthalen-1-yl)-4-propan-2-ylacridine?
The IUPAC name of 9-(8-bromonaphthalen-1-yl)-4-propan-2-ylacridine (CID 87209815) is 9-(8-bromonaphthalen-1-yl)-4-propan-2-ylacridine.
What is the SMILES notation for 9-(8-bromonaphthalen-1-yl)-4-propan-2-ylacridine?
The canonical SMILES for 9-(8-bromonaphthalen-1-yl)-4-propan-2-ylacridine is CC(C)c1cccc2c(-c3cccc4cccc(Br)c34)c3ccccc3nc12.
What is the InChIKey of 9-(8-bromonaphthalen-1-yl)-4-propan-2-ylacridine?
The InChIKey is YGPXAHSTSOGWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrN/c1-16(2)18-11-7-13-21-25(19-10-3-4-15-23(19)28-26(18)21)20-12-5-8-17-9-6-14-22(27)24(17)20/h3-16H,1-2H3.
What are the key properties of 9-(8-bromonaphthalen-1-yl)-4-propan-2-ylacridine?
9-(8-bromonaphthalen-1-yl)-4-propan-2-ylacridine has a molecular weight of 426.36 g/mol, XLogP of 8.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-bromonaphthalen-1-yl)-4-propan-2-ylacridine is sourced from PubChem (CID 87209815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).