(3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one

C28H22O — CID 139084691

IUPAC(3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one
SMILESO=C(C[C@H](c1ccccc1)C1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C28H22O/c29-27(21-13-5-2-6-14-21)19-26(20-11-3-1-4-12-20)28-24-17-9-7-15-22(24)23-16-8-10-18-25(23)28/h1-18,26,28H,19H2/t26-/m1/s1
InChIKeyWYIUVKJJTCGLMP-AREMUKBSSA-N
MW374.48 g/mol
LogP6.86
Rot. Bonds5

About (3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one

(3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one (PubChem CID 139084691) has the molecular formula C28H22O and a molecular weight of 374.48 g/mol. Its IUPAC name is (3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one
PubChem CID139084691
Molecular FormulaC28H22O
Molecular Weight374.48 g/mol
Exact Mass374.17
IUPAC Name(3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one
SMILESO=C(C[C@H](c1ccccc1)C1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C28H22O/c29-27(21-13-5-2-6-14-21)19-26(20-11-3-1-4-12-20)28-24-17-9-7-15-22(24)23-16-8-10-18-25(23)28/h1-18,26,28H,19H2/t26-/m1/s1
InChIKeyWYIUVKJJTCGLMP-AREMUKBSSA-N
XLogP6.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one 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

(4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one
CID 7385778
10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one
CID 46862210
(4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one
CID 23244344
3-(9H-fluoren-9-yl)-3-phenylpropanenitrile
CID 3386304
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
2-[(1R)-3-oxo-1-phenylbutyl]indene-1,3-dione
CID 98056346
2-(3-oxo-1-phenylbutyl)indene-1,3-dione
CID 519483
5-[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3834503
(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388
(3R)-1,3-diphenylpentan-1-one
CID 11042799
2-bromo-1,3,5-triphenylpentane-1,5-dione
CID 13250146

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one?
The IUPAC name of (3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one (CID 139084691) is (3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one.
What is the SMILES notation for (3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one?
The canonical SMILES for (3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one is O=C(C[C@H](c1ccccc1)C1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of (3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one?
The InChIKey is WYIUVKJJTCGLMP-AREMUKBSSA-N. The full InChI is InChI=1S/C28H22O/c29-27(21-13-5-2-6-14-21)19-26(20-11-3-1-4-12-20)28-24-17-9-7-15-22(24)23-16-8-10-18-25(23)28/h1-18,26,28H,19H2/t26-/m1/s1.
What are the key properties of (3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one?
(3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one has a molecular weight of 374.48 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one is sourced from PubChem (CID 139084691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).