BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Phenanthrene

Phenanthrene synonyms

Phenanthracene; Phenanthrin; Phenanthrene; Phenanthren; Ravatite; PEY

Wikipedia:

Graphical representations:

phenanthrene image

Molecular Formula: C14 H10

Natural Isotopic Abundance Mass: 178.2292

Mono-Isotopic Molecular Masses:

  • C12N14: 178.078250321
  • C13N14: 192.1252180502
  • C12N15: 178.078250321
  • C13N15: 192.1252180502

InCHi String:

canonical and isomeric SMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C32

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
phenanthrene

PubChem Substance (SID):   85165340   48425511   10536932
PubChem Compound (CID):   995
KEGG: Compound ID   C11422
CAS Registry IDs:   85-01-8
PDB Chemical Component   PEY
Miscellaneous Databases and IDs:   Sigma-Aldrich P11409_ALDRICH   ChEBI CHEBI:28851   HSDB 2166   ChemIDplus 000085018   ChemSpider 19907022   MMDB 42266.10   EINECS 201-581-5   CCRIS 1233   NMRShiftDB 10016515   NIAID 017523   DTP/NCI 26256   Comparative Toxicogenomics Database C031181   EPA DSSTox 33874   UM-BBD c0431   ChemDB 4987606   NCGC NCGC00091177-01   NIST Chemistry WebBook 1635576906   MMCD cq_08060   MDL MFCD00001168

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.