1-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one

C30H24O — CID 167290199

IUPAC1-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one
SMILESCCc1ccc2c(c1)C(C)(C)c1cc(-c3cccc4c3C(=O)c3ccccc3-4)ccc1-2
InChIInChI=1S/C30H24O/c1-4-18-12-14-22-23-15-13-19(17-27(23)30(2,3)26(22)16-18)20-10-7-11-24-21-8-5-6-9-25(21)29(31)28(20)24/h5-17H,4H2,1-3H3
InChIKeyZTPMXRLVXLYSCG-UHFFFAOYSA-N
MW400.52 g/mol
LogP7.43
Rot. Bonds2

About 1-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one

1-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one (PubChem CID 167290199) has the molecular formula C30H24O and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one.

Molecular Properties

Compound Name1-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one
PubChem CID167290199
Molecular FormulaC30H24O
Molecular Weight400.52 g/mol
Exact Mass400.18
IUPAC Name1-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one
SMILESCCc1ccc2c(c1)C(C)(C)c1cc(-c3cccc4c3C(=O)c3ccccc3-4)ccc1-2
InChIInChI=1S/C30H24O/c1-4-18-12-14-22-23-15-13-19(17-27(23)30(2,3)26(22)16-18)20-10-7-11-24-21-8-5-6-9-25(21)29(31)28(20)24/h5-17H,4H2,1-3H3
InChIKeyZTPMXRLVXLYSCG-UHFFFAOYSA-N
XLogP7.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one 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-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one?
The IUPAC name of 1-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one (CID 167290199) is 1-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one.
What is the SMILES notation for 1-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one?
The canonical SMILES for 1-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one is CCc1ccc2c(c1)C(C)(C)c1cc(-c3cccc4c3C(=O)c3ccccc3-4)ccc1-2.
What is the InChIKey of 1-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one?
The InChIKey is ZTPMXRLVXLYSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O/c1-4-18-12-14-22-23-15-13-19(17-27(23)30(2,3)26(22)16-18)20-10-7-11-24-21-8-5-6-9-25(21)29(31)28(20)24/h5-17H,4H2,1-3H3.
What are the key properties of 1-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one?
1-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one has a molecular weight of 400.52 g/mol, XLogP of 7.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-9,9-dimethylfluoren-2-yl)fluoren-9-one is sourced from PubChem (CID 167290199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).