1-(11,11-dimethyl-6-phenylthieno[2,3-a]acridin-2-yl)ethanone

C25H21NOS — CID 118655521

IUPAC1-(11,11-dimethyl-6-phenylthieno[2,3-a]acridin-2-yl)ethanone
SMILESCC(=O)c1cc2ccc3c(c2s1)C(C)(C)c1ccccc1N3c1ccccc1
InChIInChI=1S/C25H21NOS/c1-16(27)22-15-17-13-14-21-23(24(17)28-22)25(2,3)19-11-7-8-12-20(19)26(21)18-9-5-4-6-10-18/h4-15H,1-3H3
InChIKeyPMHLPCVMIWXCQN-UHFFFAOYSA-N
MW383.52 g/mol
LogP7.21
Rot. Bonds2

About 1-(11,11-dimethyl-6-phenylthieno[2,3-a]acridin-2-yl)ethanone

1-(11,11-dimethyl-6-phenylthieno[2,3-a]acridin-2-yl)ethanone (PubChem CID 118655521) has the molecular formula C25H21NOS and a molecular weight of 383.52 g/mol. Its IUPAC name is 1-(11,11-dimethyl-6-phenylthieno[2,3-a]acridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(11,11-dimethyl-6-phenylthieno[2,3-a]acridin-2-yl)ethanone
PubChem CID118655521
Molecular FormulaC25H21NOS
Molecular Weight383.52 g/mol
Exact Mass383.13
IUPAC Name1-(11,11-dimethyl-6-phenylthieno[2,3-a]acridin-2-yl)ethanone
SMILESCC(=O)c1cc2ccc3c(c2s1)C(C)(C)c1ccccc1N3c1ccccc1
InChIInChI=1S/C25H21NOS/c1-16(27)22-15-17-13-14-21-23(24(17)28-22)25(2,3)19-11-7-8-12-20(19)26(21)18-9-5-4-6-10-18/h4-15H,1-3H3
InChIKeyPMHLPCVMIWXCQN-UHFFFAOYSA-N
XLogP7.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.52
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(11,11-dimethyl-6-phenylthieno[2,3-a]acridin-2-yl)ethanone?
The IUPAC name of 1-(11,11-dimethyl-6-phenylthieno[2,3-a]acridin-2-yl)ethanone (CID 118655521) is 1-(11,11-dimethyl-6-phenylthieno[2,3-a]acridin-2-yl)ethanone.
What is the SMILES notation for 1-(11,11-dimethyl-6-phenylthieno[2,3-a]acridin-2-yl)ethanone?
The canonical SMILES for 1-(11,11-dimethyl-6-phenylthieno[2,3-a]acridin-2-yl)ethanone is CC(=O)c1cc2ccc3c(c2s1)C(C)(C)c1ccccc1N3c1ccccc1.
What is the InChIKey of 1-(11,11-dimethyl-6-phenylthieno[2,3-a]acridin-2-yl)ethanone?
The InChIKey is PMHLPCVMIWXCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NOS/c1-16(27)22-15-17-13-14-21-23(24(17)28-22)25(2,3)19-11-7-8-12-20(19)26(21)18-9-5-4-6-10-18/h4-15H,1-3H3.
What are the key properties of 1-(11,11-dimethyl-6-phenylthieno[2,3-a]acridin-2-yl)ethanone?
1-(11,11-dimethyl-6-phenylthieno[2,3-a]acridin-2-yl)ethanone has a molecular weight of 383.52 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11,11-dimethyl-6-phenylthieno[2,3-a]acridin-2-yl)ethanone is sourced from PubChem (CID 118655521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).