9-bromophenanthrene

C14H9Br — CID 11309

IUPAC9-bromophenanthrene
SMILESBrc1cc2ccccc2c2ccccc12
InChIInChI=1S/C14H9Br/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChIKeyRSQXKVWKJVUZDG-UHFFFAOYSA-N
MW257.13 g/mol
LogP4.76
Rot. Bonds

About 9-bromophenanthrene

9-bromophenanthrene (PubChem CID 11309) has the molecular formula C14H9Br and a molecular weight of 257.13 g/mol. Its IUPAC name is 9-bromophenanthrene.

Molecular Properties

Compound Name9-bromophenanthrene
PubChem CID11309
Molecular FormulaC14H9Br
Molecular Weight257.13 g/mol
Exact Mass255.99
IUPAC Name9-bromophenanthrene
SMILESBrc1cc2ccccc2c2ccccc12
InChIInChI=1S/C14H9Br/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChIKeyRSQXKVWKJVUZDG-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bromophenanthrene?
The IUPAC name of 9-bromophenanthrene (CID 11309) is 9-bromophenanthrene.
What is the SMILES notation for 9-bromophenanthrene?
The canonical SMILES for 9-bromophenanthrene is Brc1cc2ccccc2c2ccccc12.
What is the InChIKey of 9-bromophenanthrene?
The InChIKey is RSQXKVWKJVUZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H.
What are the key properties of 9-bromophenanthrene?
9-bromophenanthrene has a molecular weight of 257.13 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromophenanthrene is sourced from PubChem (CID 11309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).