9-[bromo-(4-bromophenyl)methylidene]fluorene

C20H12Br2 — CID 86111759

IUPAC9-[bromo-(4-bromophenyl)methylidene]fluorene
SMILESBrC(=C1c2ccccc2-c2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C20H12Br2/c21-14-11-9-13(10-12-14)20(22)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12H
InChIKeyBPXXMMXOBUNSGK-UHFFFAOYSA-N
MW412.12 g/mol
LogP6.74
Rot. Bonds1

About 9-[bromo-(4-bromophenyl)methylidene]fluorene

9-[bromo-(4-bromophenyl)methylidene]fluorene (PubChem CID 86111759) has the molecular formula C20H12Br2 and a molecular weight of 412.12 g/mol. Its IUPAC name is 9-[bromo-(4-bromophenyl)methylidene]fluorene.

Molecular Properties

Compound Name9-[bromo-(4-bromophenyl)methylidene]fluorene
PubChem CID86111759
Molecular FormulaC20H12Br2
Molecular Weight412.12 g/mol
Exact Mass409.93
IUPAC Name9-[bromo-(4-bromophenyl)methylidene]fluorene
SMILESBrC(=C1c2ccccc2-c2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C20H12Br2/c21-14-11-9-13(10-12-14)20(22)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12H
InChIKeyBPXXMMXOBUNSGK-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.12
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[bromo-(4-bromophenyl)methylidene]fluorene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[bromo-(4-bromophenyl)methylidene]fluorene?
The IUPAC name of 9-[bromo-(4-bromophenyl)methylidene]fluorene (CID 86111759) is 9-[bromo-(4-bromophenyl)methylidene]fluorene.
What is the SMILES notation for 9-[bromo-(4-bromophenyl)methylidene]fluorene?
The canonical SMILES for 9-[bromo-(4-bromophenyl)methylidene]fluorene is BrC(=C1c2ccccc2-c2ccccc21)c1ccc(Br)cc1.
What is the InChIKey of 9-[bromo-(4-bromophenyl)methylidene]fluorene?
The InChIKey is BPXXMMXOBUNSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2/c21-14-11-9-13(10-12-14)20(22)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12H.
What are the key properties of 9-[bromo-(4-bromophenyl)methylidene]fluorene?
9-[bromo-(4-bromophenyl)methylidene]fluorene has a molecular weight of 412.12 g/mol, XLogP of 6.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[bromo-(4-bromophenyl)methylidene]fluorene is sourced from PubChem (CID 86111759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).