3-(3-tert-butylphenyl)-9,9-dimethylfluorene

C25H26 — CID 167353665

IUPAC3-(3-tert-butylphenyl)-9,9-dimethylfluorene
SMILESCC(C)(C)c1cccc(-c2ccc3c(c2)-c2ccccc2C3(C)C)c1
InChIInChI=1S/C25H26/c1-24(2,3)19-10-8-9-17(15-19)18-13-14-23-21(16-18)20-11-6-7-12-22(20)25(23,4)5/h6-16H,1-5H3
InChIKeyUFTOEOZPBDLHJD-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.96
Rot. Bonds1

About 3-(3-tert-butylphenyl)-9,9-dimethylfluorene

3-(3-tert-butylphenyl)-9,9-dimethylfluorene (PubChem CID 167353665) has the molecular formula C25H26 and a molecular weight of 326.48 g/mol. Its IUPAC name is 3-(3-tert-butylphenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name3-(3-tert-butylphenyl)-9,9-dimethylfluorene
PubChem CID167353665
Molecular FormulaC25H26
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Name3-(3-tert-butylphenyl)-9,9-dimethylfluorene
SMILESCC(C)(C)c1cccc(-c2ccc3c(c2)-c2ccccc2C3(C)C)c1
InChIInChI=1S/C25H26/c1-24(2,3)19-10-8-9-17(15-19)18-13-14-23-21(16-18)20-11-6-7-12-22(20)25(23,4)5/h6-16H,1-5H3
InChIKeyUFTOEOZPBDLHJD-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(3-tert-butylphenyl)-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

3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene
CID 90264105
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene
CID 90264154
N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 177100109
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 166659129
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(3-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 160536709
N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 160693671
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
CID 166901883
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
1,2-bis(3-tert-butylphenyl)benzene
CID 164767999

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylphenyl)-9,9-dimethylfluorene?
The IUPAC name of 3-(3-tert-butylphenyl)-9,9-dimethylfluorene (CID 167353665) is 3-(3-tert-butylphenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 3-(3-tert-butylphenyl)-9,9-dimethylfluorene?
The canonical SMILES for 3-(3-tert-butylphenyl)-9,9-dimethylfluorene is CC(C)(C)c1cccc(-c2ccc3c(c2)-c2ccccc2C3(C)C)c1.
What is the InChIKey of 3-(3-tert-butylphenyl)-9,9-dimethylfluorene?
The InChIKey is UFTOEOZPBDLHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26/c1-24(2,3)19-10-8-9-17(15-19)18-13-14-23-21(16-18)20-11-6-7-12-22(20)25(23,4)5/h6-16H,1-5H3.
What are the key properties of 3-(3-tert-butylphenyl)-9,9-dimethylfluorene?
3-(3-tert-butylphenyl)-9,9-dimethylfluorene has a molecular weight of 326.48 g/mol, XLogP of 6.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylphenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 167353665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).