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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15,15,35,35-tetramethyl-8,28-diphenyl-18,38-dithia-8,28-diazadecacyclo[19.19.0.03,19.04,17.07,16.09,14.023,39.024,37.027,36.029,34]tetraconta-1,3(19),4(17),5,7(16),9,11,13,20,22,24(37),25,27(36),29,31,33,39-heptadecaene
CID 163886885
magnesium;carbanide;12,12-dimethyl-7-phenylbenzo[a]acridine-3-carbaldehyde;1-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)ethanol;1-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)ethanone;dioxomanganese;bromide
CID 157175563
[3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
CID 121420430
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene
CID 118443215
6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione
CID 118655381
14,14-dimethyl-8-phenyl-1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 118443210
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
[3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone
CID 130181416
2-[[12,12-dimethyl-7-(4-phenoxyphenyl)benzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355550
3,3-dimethyl-1-phenylindole-2-thione
CID 14113261
9-methyl-9,10-diphenylacridine
CID 140899029

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).