9-hexyl-2,7,9-trimethylfluorene

C22H28 — CID 123978298

IUPAC9-hexyl-2,7,9-trimethylfluorene
SMILESCCCCCCC1(C)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C22H28/c1-5-6-7-8-13-22(4)20-14-16(2)9-11-18(20)19-12-10-17(3)15-21(19)22/h9-12,14-15H,5-8,13H2,1-4H3
InChIKeyKIVKUQVCIINIOM-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.56
Rot. Bonds5

About 9-hexyl-2,7,9-trimethylfluorene

9-hexyl-2,7,9-trimethylfluorene (PubChem CID 123978298) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 9-hexyl-2,7,9-trimethylfluorene.

Molecular Properties

Compound Name9-hexyl-2,7,9-trimethylfluorene
PubChem CID123978298
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name9-hexyl-2,7,9-trimethylfluorene
SMILESCCCCCCC1(C)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C22H28/c1-5-6-7-8-13-22(4)20-14-16(2)9-11-18(20)19-12-10-17(3)15-21(19)22/h9-12,14-15H,5-8,13H2,1-4H3
InChIKeyKIVKUQVCIINIOM-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-hexyl-2,7,9-trimethylfluorene 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

2,9-dimethyl-9-propylfluorene
CID 58051803
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
4-[9-methyl-7-[2-(4-methylphenyl)-6-phenylpyrimidin-4-yl]-9-octylfluoren-2-yl]-2-(4-methylphenyl)-6-phenylpyrimidine
CID 123990852
CID 173488082
CID 173488082
4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol
CID 123523124
2-bromo-9-hexyl-9-methylfluorene
CID 141395535
tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane
CID 158683961
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 148971086
4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline
CID 134594820
9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium
CID 58594781

Frequently Asked Questions

What is the IUPAC name of 9-hexyl-2,7,9-trimethylfluorene?
The IUPAC name of 9-hexyl-2,7,9-trimethylfluorene (CID 123978298) is 9-hexyl-2,7,9-trimethylfluorene.
What is the SMILES notation for 9-hexyl-2,7,9-trimethylfluorene?
The canonical SMILES for 9-hexyl-2,7,9-trimethylfluorene is CCCCCCC1(C)c2cc(C)ccc2-c2ccc(C)cc21.
What is the InChIKey of 9-hexyl-2,7,9-trimethylfluorene?
The InChIKey is KIVKUQVCIINIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-5-6-7-8-13-22(4)20-14-16(2)9-11-18(20)19-12-10-17(3)15-21(19)22/h9-12,14-15H,5-8,13H2,1-4H3.
What are the key properties of 9-hexyl-2,7,9-trimethylfluorene?
9-hexyl-2,7,9-trimethylfluorene has a molecular weight of 292.47 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hexyl-2,7,9-trimethylfluorene is sourced from PubChem (CID 123978298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).