2',7'-dibromospiro[2,5-dihydropyran-6,9'-fluorene]

C17H12Br2O — CID 86731870

IUPAC2',7'-dibromospiro[2,5-dihydropyran-6,9'-fluorene]
SMILESBrc1ccc2c(c1)C1(CC=CCO1)c1cc(Br)ccc1-2
InChIInChI=1S/C17H12Br2O/c18-11-3-5-13-14-6-4-12(19)10-16(14)17(15(13)9-11)7-1-2-8-20-17/h1-6,9-10H,7-8H2
InChIKeyHZFUNFJKMJVNLM-UHFFFAOYSA-N
MW392.09 g/mol
LogP5.41
Rot. Bonds

About 2',7'-dibromospiro[2,5-dihydropyran-6,9'-fluorene]

2',7'-dibromospiro[2,5-dihydropyran-6,9'-fluorene] (PubChem CID 86731870) has the molecular formula C17H12Br2O and a molecular weight of 392.09 g/mol. Its IUPAC name is 2',7'-dibromospiro[2,5-dihydropyran-6,9'-fluorene].

Molecular Properties

Compound Name2',7'-dibromospiro[2,5-dihydropyran-6,9'-fluorene]
PubChem CID86731870
Molecular FormulaC17H12Br2O
Molecular Weight392.09 g/mol
Exact Mass389.93
IUPAC Name2',7'-dibromospiro[2,5-dihydropyran-6,9'-fluorene]
SMILESBrc1ccc2c(c1)C1(CC=CCO1)c1cc(Br)ccc1-2
InChIInChI=1S/C17H12Br2O/c18-11-3-5-13-14-6-4-12(19)10-16(14)17(15(13)9-11)7-1-2-8-20-17/h1-6,9-10H,7-8H2
InChIKeyHZFUNFJKMJVNLM-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.09
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2',7'-dibromospiro[2,5-dihydropyran-6,9'-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 2',7'-dibromospiro[2,5-dihydropyran-6,9'-fluorene]?
The IUPAC name of 2',7'-dibromospiro[2,5-dihydropyran-6,9'-fluorene] (CID 86731870) is 2',7'-dibromospiro[2,5-dihydropyran-6,9'-fluorene].
What is the SMILES notation for 2',7'-dibromospiro[2,5-dihydropyran-6,9'-fluorene]?
The canonical SMILES for 2',7'-dibromospiro[2,5-dihydropyran-6,9'-fluorene] is Brc1ccc2c(c1)C1(CC=CCO1)c1cc(Br)ccc1-2.
What is the InChIKey of 2',7'-dibromospiro[2,5-dihydropyran-6,9'-fluorene]?
The InChIKey is HZFUNFJKMJVNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2O/c18-11-3-5-13-14-6-4-12(19)10-16(14)17(15(13)9-11)7-1-2-8-20-17/h1-6,9-10H,7-8H2.
What are the key properties of 2',7'-dibromospiro[2,5-dihydropyran-6,9'-fluorene]?
2',7'-dibromospiro[2,5-dihydropyran-6,9'-fluorene] has a molecular weight of 392.09 g/mol, XLogP of 5.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-dibromospiro[2,5-dihydropyran-6,9'-fluorene] is sourced from PubChem (CID 86731870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).