3-docosyl-9H-fluorene

C35H54 — CID 141425169

IUPAC3-docosyl-9H-fluorene
SMILESCCCCCCCCCCCCCCCCCCCCCCc1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C35H54/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-27-28-33-30-32-25-22-23-26-34(32)35(33)29-31/h22-23,25-29H,2-21,24,30H2,1H3
InChIKeyLZXHQUABSIYRDL-UHFFFAOYSA-N
MW474.82 g/mol
LogP11.62
Rot. Bonds21

About 3-docosyl-9H-fluorene

3-docosyl-9H-fluorene (PubChem CID 141425169) has the molecular formula C35H54 and a molecular weight of 474.82 g/mol. Its IUPAC name is 3-docosyl-9H-fluorene.

Molecular Properties

Compound Name3-docosyl-9H-fluorene
PubChem CID141425169
Molecular FormulaC35H54
Molecular Weight474.82 g/mol
Exact Mass474.42
IUPAC Name3-docosyl-9H-fluorene
SMILESCCCCCCCCCCCCCCCCCCCCCCc1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C35H54/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-27-28-33-30-32-25-22-23-26-34(32)35(33)29-31/h22-23,25-29H,2-21,24,30H2,1H3
InChIKeyLZXHQUABSIYRDL-UHFFFAOYSA-N
XLogP11.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.82
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-tricosyl-9H-fluorene
CID 141426174
3-hexyl-9H-fluorene
CID 141425158
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-docosyl-9H-fluorene?
The IUPAC name of 3-docosyl-9H-fluorene (CID 141425169) is 3-docosyl-9H-fluorene.
What is the SMILES notation for 3-docosyl-9H-fluorene?
The canonical SMILES for 3-docosyl-9H-fluorene is CCCCCCCCCCCCCCCCCCCCCCc1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of 3-docosyl-9H-fluorene?
The InChIKey is LZXHQUABSIYRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H54/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-27-28-33-30-32-25-22-23-26-34(32)35(33)29-31/h22-23,25-29H,2-21,24,30H2,1H3.
What are the key properties of 3-docosyl-9H-fluorene?
3-docosyl-9H-fluorene has a molecular weight of 474.82 g/mol, XLogP of 11.62, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-docosyl-9H-fluorene is sourced from PubChem (CID 141425169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).