9,9-dihexyl-2,7-dimethylfluorene

C27H38 — CID 21337928

IUPAC9,9-dihexyl-2,7-dimethylfluorene
SMILESCCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C27H38/c1-5-7-9-11-17-27(18-12-10-8-6-2)25-19-21(3)13-15-23(25)24-16-14-22(4)20-26(24)27/h13-16,19-20H,5-12,17-18H2,1-4H3
InChIKeyFBMMPGZGRYATOV-UHFFFAOYSA-N
MW362.60 g/mol
LogP8.51
Rot. Bonds10

About 9,9-dihexyl-2,7-dimethylfluorene

9,9-dihexyl-2,7-dimethylfluorene (PubChem CID 21337928) has the molecular formula C27H38 and a molecular weight of 362.60 g/mol. Its IUPAC name is 9,9-dihexyl-2,7-dimethylfluorene.

Molecular Properties

Compound Name9,9-dihexyl-2,7-dimethylfluorene
PubChem CID21337928
Molecular FormulaC27H38
Molecular Weight362.60 g/mol
Exact Mass362.30
IUPAC Name9,9-dihexyl-2,7-dimethylfluorene
SMILESCCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C27H38/c1-5-7-9-11-17-27(18-12-10-8-6-2)25-19-21(3)13-15-23(25)24-16-14-22(4)20-26(24)27/h13-16,19-20H,5-12,17-18H2,1-4H3
InChIKeyFBMMPGZGRYATOV-UHFFFAOYSA-N
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 58.51
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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Frequently Asked Questions

What is the IUPAC name of 9,9-dihexyl-2,7-dimethylfluorene?
The IUPAC name of 9,9-dihexyl-2,7-dimethylfluorene (CID 21337928) is 9,9-dihexyl-2,7-dimethylfluorene.
What is the SMILES notation for 9,9-dihexyl-2,7-dimethylfluorene?
The canonical SMILES for 9,9-dihexyl-2,7-dimethylfluorene is CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.
What is the InChIKey of 9,9-dihexyl-2,7-dimethylfluorene?
The InChIKey is FBMMPGZGRYATOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38/c1-5-7-9-11-17-27(18-12-10-8-6-2)25-19-21(3)13-15-23(25)24-16-14-22(4)20-26(24)27/h13-16,19-20H,5-12,17-18H2,1-4H3.
What are the key properties of 9,9-dihexyl-2,7-dimethylfluorene?
9,9-dihexyl-2,7-dimethylfluorene has a molecular weight of 362.60 g/mol, XLogP of 8.51, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dihexyl-2,7-dimethylfluorene is sourced from PubChem (CID 21337928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).