2,7-dibromo-9-prop-2-enyl-9H-fluorene

C16H12Br2 — CID 141405719

IUPAC2,7-dibromo-9-prop-2-enyl-9H-fluorene
SMILESC=CCC1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C16H12Br2/c1-2-3-12-15-8-10(17)4-6-13(15)14-7-5-11(18)9-16(12)14/h2,4-9,12H,1,3H2
InChIKeyLIHMKQKZNYQLBG-UHFFFAOYSA-N
MW364.08 g/mol
LogP5.90
Rot. Bonds2

About 2,7-dibromo-9-prop-2-enyl-9H-fluorene

2,7-dibromo-9-prop-2-enyl-9H-fluorene (PubChem CID 141405719) has the molecular formula C16H12Br2 and a molecular weight of 364.08 g/mol. Its IUPAC name is 2,7-dibromo-9-prop-2-enyl-9H-fluorene.

Molecular Properties

Compound Name2,7-dibromo-9-prop-2-enyl-9H-fluorene
PubChem CID141405719
Molecular FormulaC16H12Br2
Molecular Weight364.08 g/mol
Exact Mass361.93
IUPAC Name2,7-dibromo-9-prop-2-enyl-9H-fluorene
SMILESC=CCC1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C16H12Br2/c1-2-3-12-15-8-10(17)4-6-13(15)14-7-5-11(18)9-16(12)14/h2,4-9,12H,1,3H2
InChIKeyLIHMKQKZNYQLBG-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.08
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,7-dibromo-9-prop-2-enyl-9H-fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene
CID 67039714
(3S,4R)-6-bromo-4-prop-2-enyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 69469816
1-bromo-3-(4-prop-2-enylcyclohexyl)benzene
CID 69372307
(8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163273815
5-bromo-2-prop-2-enoxyindene-1,3-dione
CID 91183034
2,7-dibromo-9-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 67039566
2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane
CID 145444709
4-bromo-2-fluoro-1-prop-2-enylbenzene
CID 24722089
2-bromo-9H-fluoren-9-amine
CID 71174476
6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine
CID 43755416
2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 67039293
(9S)-2-bromo-9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-9H-fluorene
CID 170053448

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-prop-2-enyl-9H-fluorene?
The IUPAC name of 2,7-dibromo-9-prop-2-enyl-9H-fluorene (CID 141405719) is 2,7-dibromo-9-prop-2-enyl-9H-fluorene.
What is the SMILES notation for 2,7-dibromo-9-prop-2-enyl-9H-fluorene?
The canonical SMILES for 2,7-dibromo-9-prop-2-enyl-9H-fluorene is C=CCC1c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-prop-2-enyl-9H-fluorene?
The InChIKey is LIHMKQKZNYQLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2/c1-2-3-12-15-8-10(17)4-6-13(15)14-7-5-11(18)9-16(12)14/h2,4-9,12H,1,3H2.
What are the key properties of 2,7-dibromo-9-prop-2-enyl-9H-fluorene?
2,7-dibromo-9-prop-2-enyl-9H-fluorene has a molecular weight of 364.08 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-prop-2-enyl-9H-fluorene is sourced from PubChem (CID 141405719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).