3-hexyl-9H-fluorene

C19H22 — CID 141425158

IUPAC3-hexyl-9H-fluorene
SMILESCCCCCCc1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C19H22/c1-2-3-4-5-8-15-11-12-17-14-16-9-6-7-10-18(16)19(17)13-15/h6-7,9-13H,2-5,8,14H2,1H3
InChIKeyPKSQPGRTTKZNMV-UHFFFAOYSA-N
MW250.39 g/mol
LogP5.38
Rot. Bonds5

About 3-hexyl-9H-fluorene

3-hexyl-9H-fluorene (PubChem CID 141425158) has the molecular formula C19H22 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-hexyl-9H-fluorene.

Molecular Properties

Compound Name3-hexyl-9H-fluorene
PubChem CID141425158
Molecular FormulaC19H22
Molecular Weight250.39 g/mol
Exact Mass250.17
IUPAC Name3-hexyl-9H-fluorene
SMILESCCCCCCc1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C19H22/c1-2-3-4-5-8-15-11-12-17-14-16-9-6-7-10-18(16)19(17)13-15/h6-7,9-13H,2-5,8,14H2,1H3
InChIKeyPKSQPGRTTKZNMV-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.39
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-hexyl-9H-fluorene 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-tricosyl-9H-fluorene
CID 141426174
3-docosyl-9H-fluorene
CID 141425169
2-hexyl-9H-fluorene
CID 2801684
2-decyl-9H-fluorene
CID 21095311
9H-fluorene;nonylbenzene
CID 161236553
9H-fluorene;henicosane
CID 174789372
2-(9H-fluoren-1-yl)-4-nonylphenol
CID 152722460
2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene
CID 71446326
3,9-dihexyl-12,14-dihydropentacene-5,7-dione
CID 23586534
bis(9H-fluorene);pentane
CID 159146463
3-pent-4-ynyl-9H-fluorene
CID 18927532
bis(9H-fluorene);methane;pentane
CID 158815702

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-9H-fluorene?
The IUPAC name of 3-hexyl-9H-fluorene (CID 141425158) is 3-hexyl-9H-fluorene.
What is the SMILES notation for 3-hexyl-9H-fluorene?
The canonical SMILES for 3-hexyl-9H-fluorene is CCCCCCc1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of 3-hexyl-9H-fluorene?
The InChIKey is PKSQPGRTTKZNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-2-3-4-5-8-15-11-12-17-14-16-9-6-7-10-18(16)19(17)13-15/h6-7,9-13H,2-5,8,14H2,1H3.
What are the key properties of 3-hexyl-9H-fluorene?
3-hexyl-9H-fluorene has a molecular weight of 250.39 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-9H-fluorene is sourced from PubChem (CID 141425158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).