2,2'-dibromo-1,1'-spirobi[fluorene]

C25H14Br2 — CID 68948998

IUPAC2,2'-dibromo-1,1'-spirobi[fluorene]
SMILESBrC1=CC=C2C(=Cc3ccccc32)C12C(Br)=CC=C1C2=Cc2ccccc21
InChIInChI=1S/C25H14Br2/c26-23-11-9-19-17-7-3-1-5-15(17)13-21(19)25(23)22-14-16-6-2-4-8-18(16)20(22)10-12-24(25)27/h1-14H
InChIKeyMKHWJBSUJFSTRB-UHFFFAOYSA-N
MW474.20 g/mol
LogP7.52
Rot. Bonds

About 2,2'-dibromo-1,1'-spirobi[fluorene]

2,2'-dibromo-1,1'-spirobi[fluorene] (PubChem CID 68948998) has the molecular formula C25H14Br2 and a molecular weight of 474.20 g/mol. Its IUPAC name is 2,2'-dibromo-1,1'-spirobi[fluorene].

Molecular Properties

Compound Name2,2'-dibromo-1,1'-spirobi[fluorene]
PubChem CID68948998
Molecular FormulaC25H14Br2
Molecular Weight474.20 g/mol
Exact Mass471.95
IUPAC Name2,2'-dibromo-1,1'-spirobi[fluorene]
SMILESBrC1=CC=C2C(=Cc3ccccc32)C12C(Br)=CC=C1C2=Cc2ccccc21
InChIInChI=1S/C25H14Br2/c26-23-11-9-19-17-7-3-1-5-15(17)13-21(19)25(23)22-14-16-6-2-4-8-18(16)20(22)10-12-24(25)27/h1-14H
InChIKeyMKHWJBSUJFSTRB-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.20
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2'-dibromo-1,1'-spirobi[fluorene]?
The IUPAC name of 2,2'-dibromo-1,1'-spirobi[fluorene] (CID 68948998) is 2,2'-dibromo-1,1'-spirobi[fluorene].
What is the SMILES notation for 2,2'-dibromo-1,1'-spirobi[fluorene]?
The canonical SMILES for 2,2'-dibromo-1,1'-spirobi[fluorene] is BrC1=CC=C2C(=Cc3ccccc32)C12C(Br)=CC=C1C2=Cc2ccccc21.
What is the InChIKey of 2,2'-dibromo-1,1'-spirobi[fluorene]?
The InChIKey is MKHWJBSUJFSTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Br2/c26-23-11-9-19-17-7-3-1-5-15(17)13-21(19)25(23)22-14-16-6-2-4-8-18(16)20(22)10-12-24(25)27/h1-14H.
What are the key properties of 2,2'-dibromo-1,1'-spirobi[fluorene]?
2,2'-dibromo-1,1'-spirobi[fluorene] has a molecular weight of 474.20 g/mol, XLogP of 7.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2'-dibromo-1,1'-spirobi[fluorene] is sourced from PubChem (CID 68948998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).