2-bromo-9,9-dimethyl-10-phenylacridine

C21H18BrN — CID 66585391

IUPAC2-bromo-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C21H18BrN/c1-21(2)17-10-6-7-11-19(17)23(16-8-4-3-5-9-16)20-13-12-15(22)14-18(20)21/h3-14H,1-2H3
InChIKeyYJURGFBTNNIONW-UHFFFAOYSA-N
MW364.29 g/mol
LogP6.56
Rot. Bonds1

About 2-bromo-9,9-dimethyl-10-phenylacridine

2-bromo-9,9-dimethyl-10-phenylacridine (PubChem CID 66585391) has the molecular formula C21H18BrN and a molecular weight of 364.29 g/mol. Its IUPAC name is 2-bromo-9,9-dimethyl-10-phenylacridine.

Molecular Properties

Compound Name2-bromo-9,9-dimethyl-10-phenylacridine
PubChem CID66585391
Molecular FormulaC21H18BrN
Molecular Weight364.29 g/mol
Exact Mass363.06
IUPAC Name2-bromo-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C21H18BrN/c1-21(2)17-10-6-7-11-19(17)23(16-8-4-3-5-9-16)20-13-12-15(22)14-18(20)21/h3-14H,1-2H3
InChIKeyYJURGFBTNNIONW-UHFFFAOYSA-N
XLogP6.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.29
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-dimethyl-10-phenylacridine?
The IUPAC name of 2-bromo-9,9-dimethyl-10-phenylacridine (CID 66585391) is 2-bromo-9,9-dimethyl-10-phenylacridine.
What is the SMILES notation for 2-bromo-9,9-dimethyl-10-phenylacridine?
The canonical SMILES for 2-bromo-9,9-dimethyl-10-phenylacridine is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(Br)cc21.
What is the InChIKey of 2-bromo-9,9-dimethyl-10-phenylacridine?
The InChIKey is YJURGFBTNNIONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN/c1-21(2)17-10-6-7-11-19(17)23(16-8-4-3-5-9-16)20-13-12-15(22)14-18(20)21/h3-14H,1-2H3.
What are the key properties of 2-bromo-9,9-dimethyl-10-phenylacridine?
2-bromo-9,9-dimethyl-10-phenylacridine has a molecular weight of 364.29 g/mol, XLogP of 6.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-dimethyl-10-phenylacridine is sourced from PubChem (CID 66585391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).