2,7-dibromo-3,4,6-trimethyl-9H-fluorene

C16H14Br2 — CID 155315860

IUPAC2,7-dibromo-3,4,6-trimethyl-9H-fluorene
SMILESCc1cc2c(cc1Br)Cc1cc(Br)c(C)c(C)c1-2
InChIInChI=1S/C16H14Br2/c1-8-4-13-11(6-14(8)17)5-12-7-15(18)9(2)10(3)16(12)13/h4,6-7H,5H2,1-3H3
InChIKeyWARGTKWEVXVPIC-UHFFFAOYSA-N
MW366.10 g/mol
LogP5.71
Rot. Bonds

About 2,7-dibromo-3,4,6-trimethyl-9H-fluorene

2,7-dibromo-3,4,6-trimethyl-9H-fluorene (PubChem CID 155315860) has the molecular formula C16H14Br2 and a molecular weight of 366.10 g/mol. Its IUPAC name is 2,7-dibromo-3,4,6-trimethyl-9H-fluorene.

Molecular Properties

Compound Name2,7-dibromo-3,4,6-trimethyl-9H-fluorene
PubChem CID155315860
Molecular FormulaC16H14Br2
Molecular Weight366.10 g/mol
Exact Mass363.95
IUPAC Name2,7-dibromo-3,4,6-trimethyl-9H-fluorene
SMILESCc1cc2c(cc1Br)Cc1cc(Br)c(C)c(C)c1-2
InChIInChI=1S/C16H14Br2/c1-8-4-13-11(6-14(8)17)5-12-7-15(18)9(2)10(3)16(12)13/h4,6-7H,5H2,1-3H3
InChIKeyWARGTKWEVXVPIC-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.10
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-3,4,6-trimethyl-9H-fluorene?
The IUPAC name of 2,7-dibromo-3,4,6-trimethyl-9H-fluorene (CID 155315860) is 2,7-dibromo-3,4,6-trimethyl-9H-fluorene.
What is the SMILES notation for 2,7-dibromo-3,4,6-trimethyl-9H-fluorene?
The canonical SMILES for 2,7-dibromo-3,4,6-trimethyl-9H-fluorene is Cc1cc2c(cc1Br)Cc1cc(Br)c(C)c(C)c1-2.
What is the InChIKey of 2,7-dibromo-3,4,6-trimethyl-9H-fluorene?
The InChIKey is WARGTKWEVXVPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2/c1-8-4-13-11(6-14(8)17)5-12-7-15(18)9(2)10(3)16(12)13/h4,6-7H,5H2,1-3H3.
What are the key properties of 2,7-dibromo-3,4,6-trimethyl-9H-fluorene?
2,7-dibromo-3,4,6-trimethyl-9H-fluorene has a molecular weight of 366.10 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-3,4,6-trimethyl-9H-fluorene is sourced from PubChem (CID 155315860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).