9H-fluorene;henicosane

C34H54 — CID 174789372

IUPAC9H-fluorene;henicosane
SMILESCCCCCCCCCCCCCCCCCCCCC.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H44.C13H10/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h3-21H2,1-2H3;1-8H,9H2
InChIKeyBBRMIGMCRURDFJ-UHFFFAOYSA-N
MW462.81 g/mol
LogP11.70
Rot. Bonds18

About 9H-fluorene;henicosane

9H-fluorene;henicosane (PubChem CID 174789372) has the molecular formula C34H54 and a molecular weight of 462.81 g/mol. Its IUPAC name is 9H-fluorene;henicosane.

Molecular Properties

Compound Name9H-fluorene;henicosane
PubChem CID174789372
Molecular FormulaC34H54
Molecular Weight462.81 g/mol
Exact Mass462.42
IUPAC Name9H-fluorene;henicosane
SMILESCCCCCCCCCCCCCCCCCCCCC.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H44.C13H10/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h3-21H2,1-2H3;1-8H,9H2
InChIKeyBBRMIGMCRURDFJ-UHFFFAOYSA-N
XLogP11.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.81
LogP ≤ 511.70
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

bis(9H-fluorene);pentane
CID 159146463
bis(9H-fluorene);methane;pentane
CID 158815702
9H-fluorene;nonylbenzene
CID 161236553
CID 174760104
CID 174760104
2-hexyl-9H-fluorene
CID 2801684
3-docosyl-9H-fluorene
CID 141425169
3-tricosyl-9H-fluorene
CID 141426174
3-hexyl-9H-fluorene
CID 141425158
2-decyl-9H-fluorene
CID 21095311
ethanamine;9H-fluorene
CID 158316259
9H-fluorene;hexane-1,6-diamine
CID 19108206
3-ethylpentane;bis(9H-fluorene)
CID 161034043

Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;henicosane?
The IUPAC name of 9H-fluorene;henicosane (CID 174789372) is 9H-fluorene;henicosane.
What is the SMILES notation for 9H-fluorene;henicosane?
The canonical SMILES for 9H-fluorene;henicosane is CCCCCCCCCCCCCCCCCCCCC.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;henicosane?
The InChIKey is BBRMIGMCRURDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44.C13H10/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h3-21H2,1-2H3;1-8H,9H2.
What are the key properties of 9H-fluorene;henicosane?
9H-fluorene;henicosane has a molecular weight of 462.81 g/mol, XLogP of 11.70, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;henicosane is sourced from PubChem (CID 174789372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).