3-bromo-9,9-dimethylbenzo[a]fluorene

C19H15Br — CID 162691316

IUPAC3-bromo-9,9-dimethylbenzo[a]fluorene
SMILESCC1(C)C=CC2=c3ccc4cc(Br)ccc4c3=CC2=C1
InChIInChI=1S/C19H15Br/c1-19(2)8-7-16-13(11-19)10-18-15-6-4-14(20)9-12(15)3-5-17(16)18/h3-11H,1-2H3
InChIKeyLTYQOFJELIOJOV-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.07
Rot. Bonds

About 3-bromo-9,9-dimethylbenzo[a]fluorene

3-bromo-9,9-dimethylbenzo[a]fluorene (PubChem CID 162691316) has the molecular formula C19H15Br and a molecular weight of 323.23 g/mol. Its IUPAC name is 3-bromo-9,9-dimethylbenzo[a]fluorene.

Molecular Properties

Compound Name3-bromo-9,9-dimethylbenzo[a]fluorene
PubChem CID162691316
Molecular FormulaC19H15Br
Molecular Weight323.23 g/mol
Exact Mass322.04
IUPAC Name3-bromo-9,9-dimethylbenzo[a]fluorene
SMILESCC1(C)C=CC2=c3ccc4cc(Br)ccc4c3=CC2=C1
InChIInChI=1S/C19H15Br/c1-19(2)8-7-16-13(11-19)10-18-15-6-4-14(20)9-12(15)3-5-17(16)18/h3-11H,1-2H3
InChIKeyLTYQOFJELIOJOV-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9,9-dimethylbenzo[a]fluorene?
The IUPAC name of 3-bromo-9,9-dimethylbenzo[a]fluorene (CID 162691316) is 3-bromo-9,9-dimethylbenzo[a]fluorene.
What is the SMILES notation for 3-bromo-9,9-dimethylbenzo[a]fluorene?
The canonical SMILES for 3-bromo-9,9-dimethylbenzo[a]fluorene is CC1(C)C=CC2=c3ccc4cc(Br)ccc4c3=CC2=C1.
What is the InChIKey of 3-bromo-9,9-dimethylbenzo[a]fluorene?
The InChIKey is LTYQOFJELIOJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Br/c1-19(2)8-7-16-13(11-19)10-18-15-6-4-14(20)9-12(15)3-5-17(16)18/h3-11H,1-2H3.
What are the key properties of 3-bromo-9,9-dimethylbenzo[a]fluorene?
3-bromo-9,9-dimethylbenzo[a]fluorene has a molecular weight of 323.23 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9,9-dimethylbenzo[a]fluorene is sourced from PubChem (CID 162691316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).