1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone

C28H28O2 — CID 123632221

IUPAC1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C(C)(C)C1=C3C(CC=C12)c1ccc(C(C)=O)cc1C3(C)C
InChIInChI=1S/C28H28O2/c1-15(29)17-7-9-19-21-11-12-22-20-10-8-18(16(2)30)14-24(20)28(5,6)26(22)25(21)27(3,4)23(19)13-17/h7-11,13-14,22H,12H2,1-6H3
InChIKeyHMYUHLPGDIYZBJ-UHFFFAOYSA-N
MW396.53 g/mol
LogP6.54
Rot. Bonds2

About 1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone

1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone (PubChem CID 123632221) has the molecular formula C28H28O2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone.

Molecular Properties

Compound Name1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone
PubChem CID123632221
Molecular FormulaC28H28O2
Molecular Weight396.53 g/mol
Exact Mass396.21
IUPAC Name1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C(C)(C)C1=C3C(CC=C12)c1ccc(C(C)=O)cc1C3(C)C
InChIInChI=1S/C28H28O2/c1-15(29)17-7-9-19-21-11-12-22-20-10-8-18(16(2)30)14-24(20)28(5,6)26(22)25(21)27(3,4)23(19)13-17/h7-11,13-14,22H,12H2,1-6H3
InChIKeyHMYUHLPGDIYZBJ-UHFFFAOYSA-N
XLogP6.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone?
The IUPAC name of 1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone (CID 123632221) is 1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone.
What is the SMILES notation for 1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone?
The canonical SMILES for 1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone is CC(=O)c1ccc2c(c1)C(C)(C)C1=C3C(CC=C12)c1ccc(C(C)=O)cc1C3(C)C.
What is the InChIKey of 1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone?
The InChIKey is HMYUHLPGDIYZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O2/c1-15(29)17-7-9-19-21-11-12-22-20-10-8-18(16(2)30)14-24(20)28(5,6)26(22)25(21)27(3,4)23(19)13-17/h7-11,13-14,22H,12H2,1-6H3.
What are the key properties of 1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone?
1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone has a molecular weight of 396.53 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone is sourced from PubChem (CID 123632221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).