1-bromo-9H-fluorene;1-chloro-4-iodobenzene

C19H13BrClI — CID 118435995

IUPAC1-bromo-9H-fluorene;1-chloro-4-iodobenzene
SMILESBrc1cccc2c1Cc1ccccc1-2.Clc1ccc(I)cc1
InChIInChI=1S/C13H9Br.C6H4ClI/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13;7-5-1-3-6(8)4-2-5/h1-7H,8H2;1-4H
InChIKeyQMPLVXFXWIEGFX-UHFFFAOYSA-N
MW483.57 g/mol
LogP6.96
Rot. Bonds

About 1-bromo-9H-fluorene;1-chloro-4-iodobenzene

1-bromo-9H-fluorene;1-chloro-4-iodobenzene (PubChem CID 118435995) has the molecular formula C19H13BrClI and a molecular weight of 483.57 g/mol. Its IUPAC name is 1-bromo-9H-fluorene;1-chloro-4-iodobenzene.

Molecular Properties

Compound Name1-bromo-9H-fluorene;1-chloro-4-iodobenzene
PubChem CID118435995
Molecular FormulaC19H13BrClI
Molecular Weight483.57 g/mol
Exact Mass481.89
IUPAC Name1-bromo-9H-fluorene;1-chloro-4-iodobenzene
SMILESBrc1cccc2c1Cc1ccccc1-2.Clc1ccc(I)cc1
InChIInChI=1S/C13H9Br.C6H4ClI/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13;7-5-1-3-6(8)4-2-5/h1-7H,8H2;1-4H
InChIKeyQMPLVXFXWIEGFX-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-9H-fluorene;1-chloro-4-iodobenzene 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 1-bromo-9H-fluorene;1-chloro-4-iodobenzene?
The IUPAC name of 1-bromo-9H-fluorene;1-chloro-4-iodobenzene (CID 118435995) is 1-bromo-9H-fluorene;1-chloro-4-iodobenzene.
What is the SMILES notation for 1-bromo-9H-fluorene;1-chloro-4-iodobenzene?
The canonical SMILES for 1-bromo-9H-fluorene;1-chloro-4-iodobenzene is Brc1cccc2c1Cc1ccccc1-2.Clc1ccc(I)cc1.
What is the InChIKey of 1-bromo-9H-fluorene;1-chloro-4-iodobenzene?
The InChIKey is QMPLVXFXWIEGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br.C6H4ClI/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13;7-5-1-3-6(8)4-2-5/h1-7H,8H2;1-4H.
What are the key properties of 1-bromo-9H-fluorene;1-chloro-4-iodobenzene?
1-bromo-9H-fluorene;1-chloro-4-iodobenzene has a molecular weight of 483.57 g/mol, XLogP of 6.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-9H-fluorene;1-chloro-4-iodobenzene is sourced from PubChem (CID 118435995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).