1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one

C26H25BrO — CID 2801674

IUPAC1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one
SMILESCCCCC(=O)c1ccc2c(c1)Cc1cc(CCc3ccc(Br)cc3)ccc1-2
InChIInChI=1S/C26H25BrO/c1-2-3-4-26(28)20-10-14-25-22(16-20)17-21-15-19(9-13-24(21)25)6-5-18-7-11-23(27)12-8-18/h7-16H,2-6,17H2,1H3
InChIKeyYAPQHLMHQJNNQS-UHFFFAOYSA-N
MW433.39 g/mol
LogP7.18
Rot. Bonds7

About 1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one

1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one (PubChem CID 2801674) has the molecular formula C26H25BrO and a molecular weight of 433.39 g/mol. Its IUPAC name is 1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one.

Molecular Properties

Compound Name1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one
PubChem CID2801674
Molecular FormulaC26H25BrO
Molecular Weight433.39 g/mol
Exact Mass432.11
IUPAC Name1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one
SMILESCCCCC(=O)c1ccc2c(c1)Cc1cc(CCc3ccc(Br)cc3)ccc1-2
InChIInChI=1S/C26H25BrO/c1-2-3-4-26(28)20-10-14-25-22(16-20)17-21-15-19(9-13-24(21)25)6-5-18-7-11-23(27)12-8-18/h7-16H,2-6,17H2,1H3
InChIKeyYAPQHLMHQJNNQS-UHFFFAOYSA-N
XLogP7.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.39
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-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

1-[7-(3-hexylnonyl)-9H-fluoren-2-yl]pentan-1-one
CID 71397015
1-(7-nonyl-9H-fluoren-2-yl)ethanone
CID 12721144
1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
1-(4-bromophenyl)pentan-1-one;2-fluoropropane
CID 143849337
5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one
CID 515308
1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 165075816
1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone
CID 157120935
1-[4-(4-propylphenyl)phenyl]pentan-1-one
CID 142331606
1-(4-amino-3-pentanoylphenyl)pentan-1-one
CID 101270148
1-(4-bromo-3-methylphenyl)pentan-1-one
CID 54759050
1-[4-(4-bromobenzoyl)phenyl]nonan-1-one
CID 158169375
4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-butylphenyl)butan-1-one
CID 137444577

Frequently Asked Questions

What is the IUPAC name of 1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one?
The IUPAC name of 1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one (CID 2801674) is 1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one.
What is the SMILES notation for 1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one?
The canonical SMILES for 1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one is CCCCC(=O)c1ccc2c(c1)Cc1cc(CCc3ccc(Br)cc3)ccc1-2.
What is the InChIKey of 1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one?
The InChIKey is YAPQHLMHQJNNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrO/c1-2-3-4-26(28)20-10-14-25-22(16-20)17-21-15-19(9-13-24(21)25)6-5-18-7-11-23(27)12-8-18/h7-16H,2-6,17H2,1H3.
What are the key properties of 1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one?
1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one has a molecular weight of 433.39 g/mol, XLogP of 7.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one is sourced from PubChem (CID 2801674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).