2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene]

C25H10Br6 — CID 15375393

IUPAC2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene]
SMILESBrc1ccc2c(c1)C1(c3cc(Br)ccc3-c3c(Br)cc(Br)cc31)c1cc(Br)cc(Br)c1-2
InChIInChI=1S/C25H10Br6/c26-11-1-3-15-17(5-11)25(19-7-13(28)9-21(30)23(15)19)18-6-12(27)2-4-16(18)24-20(25)8-14(29)10-22(24)31/h1-10H
InChIKeyKADZTMJNKSPAOW-UHFFFAOYSA-N
MW789.78 g/mol
LogP10.61
Rot. Bonds

About 2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene]

2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene] (PubChem CID 15375393) has the molecular formula C25H10Br6 and a molecular weight of 789.78 g/mol. Its IUPAC name is 2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene]
PubChem CID15375393
Molecular FormulaC25H10Br6
Molecular Weight789.78 g/mol
Exact Mass783.59
IUPAC Name2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene]
SMILESBrc1ccc2c(c1)C1(c3cc(Br)ccc3-c3c(Br)cc(Br)cc31)c1cc(Br)cc(Br)c1-2
InChIInChI=1S/C25H10Br6/c26-11-1-3-15-17(5-11)25(19-7-13(28)9-21(30)23(15)19)18-6-12(27)2-4-16(18)24-20(25)8-14(29)10-22(24)31/h1-10H
InChIKeyKADZTMJNKSPAOW-UHFFFAOYSA-N
XLogP10.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.78
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene]?
The IUPAC name of 2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene] (CID 15375393) is 2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene].
What is the SMILES notation for 2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene]?
The canonical SMILES for 2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene] is Brc1ccc2c(c1)C1(c3cc(Br)ccc3-c3c(Br)cc(Br)cc31)c1cc(Br)cc(Br)c1-2.
What is the InChIKey of 2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene]?
The InChIKey is KADZTMJNKSPAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H10Br6/c26-11-1-3-15-17(5-11)25(19-7-13(28)9-21(30)23(15)19)18-6-12(27)2-4-16(18)24-20(25)8-14(29)10-22(24)31/h1-10H.
What are the key properties of 2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene]?
2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene] has a molecular weight of 789.78 g/mol, XLogP of 10.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene] is sourced from PubChem (CID 15375393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).