1-(4-chlorophenyl)-9,9-dimethylfluorene

C21H17Cl — CID 118193752

IUPAC1-(4-chlorophenyl)-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(Cl)cc3)c21
InChIInChI=1S/C21H17Cl/c1-21(2)19-9-4-3-6-17(19)18-8-5-7-16(20(18)21)14-10-12-15(22)13-11-14/h3-13H,1-2H3
InChIKeyYBKWEFOQYBHWAV-UHFFFAOYSA-N
MW304.82 g/mol
LogP6.31
Rot. Bonds1

About 1-(4-chlorophenyl)-9,9-dimethylfluorene

1-(4-chlorophenyl)-9,9-dimethylfluorene (PubChem CID 118193752) has the molecular formula C21H17Cl and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-9,9-dimethylfluorene
PubChem CID118193752
Molecular FormulaC21H17Cl
Molecular Weight304.82 g/mol
Exact Mass304.10
IUPAC Name1-(4-chlorophenyl)-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(Cl)cc3)c21
InChIInChI=1S/C21H17Cl/c1-21(2)19-9-4-3-6-17(19)18-8-5-7-16(20(18)21)14-10-12-15(22)13-11-14/h3-13H,1-2H3
InChIKeyYBKWEFOQYBHWAV-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(4-chlorophenyl)-9,9-dimethylfluorene 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

9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038
3-(4-chlorophenyl)-7,7-dimethylbenzo[a]phenalene
CID 175136374
4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline
CID 163557328
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline
CID 90266718
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789552
1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene
CID 156827027
1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 156896822
3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene
CID 135024717
2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran
CID 167197144
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 154972905

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-9,9-dimethylfluorene?
The IUPAC name of 1-(4-chlorophenyl)-9,9-dimethylfluorene (CID 118193752) is 1-(4-chlorophenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 1-(4-chlorophenyl)-9,9-dimethylfluorene?
The canonical SMILES for 1-(4-chlorophenyl)-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2cccc(-c3ccc(Cl)cc3)c21.
What is the InChIKey of 1-(4-chlorophenyl)-9,9-dimethylfluorene?
The InChIKey is YBKWEFOQYBHWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl/c1-21(2)19-9-4-3-6-17(19)18-8-5-7-16(20(18)21)14-10-12-15(22)13-11-14/h3-13H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-9,9-dimethylfluorene?
1-(4-chlorophenyl)-9,9-dimethylfluorene has a molecular weight of 304.82 g/mol, XLogP of 6.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 118193752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).