9,10-bis(bromomethyl)phenanthrene

C16H12Br2 — CID 4663482

IUPAC9,10-bis(bromomethyl)phenanthrene
SMILESBrCc1c(CBr)c2ccccc2c2ccccc12
InChIInChI=1S/C16H12Br2/c17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18/h1-8H,9-10H2
InChIKeyAQWDNOHHPXNCAB-UHFFFAOYSA-N
MW364.08 g/mol
LogP5.78
Rot. Bonds2

About 9,10-bis(bromomethyl)phenanthrene

9,10-bis(bromomethyl)phenanthrene (PubChem CID 4663482) has the molecular formula C16H12Br2 and a molecular weight of 364.08 g/mol. Its IUPAC name is 9,10-bis(bromomethyl)phenanthrene.

Molecular Properties

Compound Name9,10-bis(bromomethyl)phenanthrene
PubChem CID4663482
Molecular FormulaC16H12Br2
Molecular Weight364.08 g/mol
Exact Mass361.93
IUPAC Name9,10-bis(bromomethyl)phenanthrene
SMILESBrCc1c(CBr)c2ccccc2c2ccccc12
InChIInChI=1S/C16H12Br2/c17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18/h1-8H,9-10H2
InChIKeyAQWDNOHHPXNCAB-UHFFFAOYSA-N
XLogP5.78
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 ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,10-bis(bromomethyl)phenanthrene 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 9,10-bis(bromomethyl)phenanthrene?
The IUPAC name of 9,10-bis(bromomethyl)phenanthrene (CID 4663482) is 9,10-bis(bromomethyl)phenanthrene.
What is the SMILES notation for 9,10-bis(bromomethyl)phenanthrene?
The canonical SMILES for 9,10-bis(bromomethyl)phenanthrene is BrCc1c(CBr)c2ccccc2c2ccccc12.
What is the InChIKey of 9,10-bis(bromomethyl)phenanthrene?
The InChIKey is AQWDNOHHPXNCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2/c17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18/h1-8H,9-10H2.
What are the key properties of 9,10-bis(bromomethyl)phenanthrene?
9,10-bis(bromomethyl)phenanthrene has a molecular weight of 364.08 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(bromomethyl)phenanthrene is sourced from PubChem (CID 4663482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).