2,6-dibromo-9-methyl-9-phenylfluorene

C20H14Br2 — CID 167225075

IUPAC2,6-dibromo-9-methyl-9-phenylfluorene
SMILESCC1(c2ccccc2)c2ccc(Br)cc2-c2ccc(Br)cc21
InChIInChI=1S/C20H14Br2/c1-20(13-5-3-2-4-6-13)18-10-8-14(21)11-17(18)16-9-7-15(22)12-19(16)20/h2-12H,1H3
InChIKeyZUFMVXIGEVHLOT-UHFFFAOYSA-N
MW414.14 g/mol
LogP6.55
Rot. Bonds1

About 2,6-dibromo-9-methyl-9-phenylfluorene

2,6-dibromo-9-methyl-9-phenylfluorene (PubChem CID 167225075) has the molecular formula C20H14Br2 and a molecular weight of 414.14 g/mol. Its IUPAC name is 2,6-dibromo-9-methyl-9-phenylfluorene.

Molecular Properties

Compound Name2,6-dibromo-9-methyl-9-phenylfluorene
PubChem CID167225075
Molecular FormulaC20H14Br2
Molecular Weight414.14 g/mol
Exact Mass411.95
IUPAC Name2,6-dibromo-9-methyl-9-phenylfluorene
SMILESCC1(c2ccccc2)c2ccc(Br)cc2-c2ccc(Br)cc21
InChIInChI=1S/C20H14Br2/c1-20(13-5-3-2-4-6-13)18-10-8-14(21)11-17(18)16-9-7-15(22)12-19(16)20/h2-12H,1H3
InChIKeyZUFMVXIGEVHLOT-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.14
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-9-methyl-9-phenylfluorene?
The IUPAC name of 2,6-dibromo-9-methyl-9-phenylfluorene (CID 167225075) is 2,6-dibromo-9-methyl-9-phenylfluorene.
What is the SMILES notation for 2,6-dibromo-9-methyl-9-phenylfluorene?
The canonical SMILES for 2,6-dibromo-9-methyl-9-phenylfluorene is CC1(c2ccccc2)c2ccc(Br)cc2-c2ccc(Br)cc21.
What is the InChIKey of 2,6-dibromo-9-methyl-9-phenylfluorene?
The InChIKey is ZUFMVXIGEVHLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2/c1-20(13-5-3-2-4-6-13)18-10-8-14(21)11-17(18)16-9-7-15(22)12-19(16)20/h2-12H,1H3.
What are the key properties of 2,6-dibromo-9-methyl-9-phenylfluorene?
2,6-dibromo-9-methyl-9-phenylfluorene has a molecular weight of 414.14 g/mol, XLogP of 6.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-9-methyl-9-phenylfluorene is sourced from PubChem (CID 167225075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).