9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine

C34H27N3 — CID 153406856

IUPAC9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3cccn4cc(-c5ccccc5)nc34)cc2)c2ccccc21
InChIInChI=1S/C34H27N3/c1-34(2)28-14-6-8-16-31(28)37(32-17-9-7-15-29(32)34)26-20-18-24(19-21-26)27-13-10-22-36-23-30(35-33(27)36)25-11-4-3-5-12-25/h3-23H,1-2H3
InChIKeyZAEJSSSPUCBUDA-UHFFFAOYSA-N
MW477.61 g/mol
LogP8.78
Rot. Bonds3

About 9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine

9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine (PubChem CID 153406856) has the molecular formula C34H27N3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine
PubChem CID153406856
Molecular FormulaC34H27N3
Molecular Weight477.61 g/mol
Exact Mass477.22
IUPAC Name9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3cccn4cc(-c5ccccc5)nc34)cc2)c2ccccc21
InChIInChI=1S/C34H27N3/c1-34(2)28-14-6-8-16-31(28)37(32-17-9-7-15-29(32)34)26-20-18-24(19-21-26)27-13-10-22-36-23-30(35-33(27)36)25-11-4-3-5-12-25/h3-23H,1-2H3
InChIKeyZAEJSSSPUCBUDA-UHFFFAOYSA-N
XLogP8.78
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine?
The IUPAC name of 9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine (CID 153406856) is 9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine.
What is the SMILES notation for 9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine?
The canonical SMILES for 9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine is CC1(C)c2ccccc2N(c2ccc(-c3cccn4cc(-c5ccccc5)nc34)cc2)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine?
The InChIKey is ZAEJSSSPUCBUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N3/c1-34(2)28-14-6-8-16-31(28)37(32-17-9-7-15-29(32)34)26-20-18-24(19-21-26)27-13-10-22-36-23-30(35-33(27)36)25-11-4-3-5-12-25/h3-23H,1-2H3.
What are the key properties of 9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine?
9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine has a molecular weight of 477.61 g/mol, XLogP of 8.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine is sourced from PubChem (CID 153406856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).