3-tricosyl-9H-fluorene

C36H56 — CID 141426174

IUPAC3-tricosyl-9H-fluorene
SMILESCCCCCCCCCCCCCCCCCCCCCCCc1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C36H56/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-32-28-29-34-31-33-26-23-24-27-35(33)36(34)30-32/h23-24,26-30H,2-22,25,31H2,1H3
InChIKeyPRNUVKHFSWLCOL-UHFFFAOYSA-N
MW488.84 g/mol
LogP12.01
Rot. Bonds22

About 3-tricosyl-9H-fluorene

3-tricosyl-9H-fluorene (PubChem CID 141426174) has the molecular formula C36H56 and a molecular weight of 488.84 g/mol. Its IUPAC name is 3-tricosyl-9H-fluorene.

Molecular Properties

Compound Name3-tricosyl-9H-fluorene
PubChem CID141426174
Molecular FormulaC36H56
Molecular Weight488.84 g/mol
Exact Mass488.44
IUPAC Name3-tricosyl-9H-fluorene
SMILESCCCCCCCCCCCCCCCCCCCCCCCc1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C36H56/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-32-28-29-34-31-33-26-23-24-27-35(33)36(34)30-32/h23-24,26-30H,2-22,25,31H2,1H3
InChIKeyPRNUVKHFSWLCOL-UHFFFAOYSA-N
XLogP12.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.84
LogP ≤ 512.01
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-hexyl-9H-fluorene
CID 141425158
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-tricosyl-9H-fluorene?
The IUPAC name of 3-tricosyl-9H-fluorene (CID 141426174) is 3-tricosyl-9H-fluorene.
What is the SMILES notation for 3-tricosyl-9H-fluorene?
The canonical SMILES for 3-tricosyl-9H-fluorene is CCCCCCCCCCCCCCCCCCCCCCCc1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of 3-tricosyl-9H-fluorene?
The InChIKey is PRNUVKHFSWLCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H56/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-32-28-29-34-31-33-26-23-24-27-35(33)36(34)30-32/h23-24,26-30H,2-22,25,31H2,1H3.
What are the key properties of 3-tricosyl-9H-fluorene?
3-tricosyl-9H-fluorene has a molecular weight of 488.84 g/mol, XLogP of 12.01, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tricosyl-9H-fluorene is sourced from PubChem (CID 141426174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).