2,2'-dibromo-9,9'-spirobi[fluorene]

C25H14Br2 — CID 11282885

IUPAC2,2'-dibromo-9,9'-spirobi[fluorene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C25H14Br2/c26-15-9-11-19-17-5-1-3-7-21(17)25(23(19)13-15)22-8-4-2-6-18(22)20-12-10-16(27)14-24(20)25/h1-14H
InChIKeyOZZSXAWYZYTWQD-UHFFFAOYSA-N
MW474.20 g/mol
LogP7.56
Rot. Bonds

About 2,2'-dibromo-9,9'-spirobi[fluorene]

2,2'-dibromo-9,9'-spirobi[fluorene] (PubChem CID 11282885) has the molecular formula C25H14Br2 and a molecular weight of 474.20 g/mol. Its IUPAC name is 2,2'-dibromo-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2,2'-dibromo-9,9'-spirobi[fluorene]
PubChem CID11282885
Molecular FormulaC25H14Br2
Molecular Weight474.20 g/mol
Exact Mass471.95
IUPAC Name2,2'-dibromo-9,9'-spirobi[fluorene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C25H14Br2/c26-15-9-11-19-17-5-1-3-7-21(17)25(23(19)13-15)22-8-4-2-6-18(22)20-12-10-16(27)14-24(20)25/h1-14H
InChIKeyOZZSXAWYZYTWQD-UHFFFAOYSA-N
XLogP7.56
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 ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2'-dibromo-9,9'-spirobi[fluorene]?
The IUPAC name of 2,2'-dibromo-9,9'-spirobi[fluorene] (CID 11282885) is 2,2'-dibromo-9,9'-spirobi[fluorene].
What is the SMILES notation for 2,2'-dibromo-9,9'-spirobi[fluorene]?
The canonical SMILES for 2,2'-dibromo-9,9'-spirobi[fluorene] is Brc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,2'-dibromo-9,9'-spirobi[fluorene]?
The InChIKey is OZZSXAWYZYTWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Br2/c26-15-9-11-19-17-5-1-3-7-21(17)25(23(19)13-15)22-8-4-2-6-18(22)20-12-10-16(27)14-24(20)25/h1-14H.
What are the key properties of 2,2'-dibromo-9,9'-spirobi[fluorene]?
2,2'-dibromo-9,9'-spirobi[fluorene] has a molecular weight of 474.20 g/mol, XLogP of 7.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2'-dibromo-9,9'-spirobi[fluorene] is sourced from PubChem (CID 11282885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).