2,7-dibromo-1,9-dihexyl-9H-fluorene

C25H32Br2 — CID 123599917

IUPAC2,7-dibromo-1,9-dihexyl-9H-fluorene
SMILESCCCCCCc1c(Br)ccc2c1C(CCCCCC)c1cc(Br)ccc1-2
InChIInChI=1S/C25H32Br2/c1-3-5-7-9-11-20-23-17-18(26)13-14-19(23)21-15-16-24(27)22(25(20)21)12-10-8-6-4-2/h13-17,20H,3-12H2,1-2H3
InChIKeyXRBYONWVAYHNIQ-UHFFFAOYSA-N
MW492.34 g/mol
LogP9.42
Rot. Bonds10

About 2,7-dibromo-1,9-dihexyl-9H-fluorene

2,7-dibromo-1,9-dihexyl-9H-fluorene (PubChem CID 123599917) has the molecular formula C25H32Br2 and a molecular weight of 492.34 g/mol. Its IUPAC name is 2,7-dibromo-1,9-dihexyl-9H-fluorene.

Molecular Properties

Compound Name2,7-dibromo-1,9-dihexyl-9H-fluorene
PubChem CID123599917
Molecular FormulaC25H32Br2
Molecular Weight492.34 g/mol
Exact Mass490.09
IUPAC Name2,7-dibromo-1,9-dihexyl-9H-fluorene
SMILESCCCCCCc1c(Br)ccc2c1C(CCCCCC)c1cc(Br)ccc1-2
InChIInChI=1S/C25H32Br2/c1-3-5-7-9-11-20-23-17-18(26)13-14-19(23)21-15-16-24(27)22(25(20)21)12-10-8-6-4-2/h13-17,20H,3-12H2,1-2H3
InChIKeyXRBYONWVAYHNIQ-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.34
LogP ≤ 59.42
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 2,7-dibromo-1,9-dihexyl-9H-fluorene?
The IUPAC name of 2,7-dibromo-1,9-dihexyl-9H-fluorene (CID 123599917) is 2,7-dibromo-1,9-dihexyl-9H-fluorene.
What is the SMILES notation for 2,7-dibromo-1,9-dihexyl-9H-fluorene?
The canonical SMILES for 2,7-dibromo-1,9-dihexyl-9H-fluorene is CCCCCCc1c(Br)ccc2c1C(CCCCCC)c1cc(Br)ccc1-2.
What is the InChIKey of 2,7-dibromo-1,9-dihexyl-9H-fluorene?
The InChIKey is XRBYONWVAYHNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Br2/c1-3-5-7-9-11-20-23-17-18(26)13-14-19(23)21-15-16-24(27)22(25(20)21)12-10-8-6-4-2/h13-17,20H,3-12H2,1-2H3.
What are the key properties of 2,7-dibromo-1,9-dihexyl-9H-fluorene?
2,7-dibromo-1,9-dihexyl-9H-fluorene has a molecular weight of 492.34 g/mol, XLogP of 9.42, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-1,9-dihexyl-9H-fluorene is sourced from PubChem (CID 123599917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).