Molecular properties
- Formula
- C14H10
- Molar mass
- 178.23 g·mol−1
- Exact mass
- 178.0783 Da
- 10
- 0
- 0
- 0.00 Ų
- 4.5 (PubChem computed XLogP3-AA descriptor)
- CAS
- 85-01-8
- PubChem CID
- 995
Molecule record
PHENANTHRENE
C14H10
178.23 g/mol
Interactions
- Polarity
- Often weakly polar or nonpolar unless other structural features dominate.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alkene
Aromatic ring
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 4.5 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- (3)HELICENE
- 1173018-81-9
- 201-581-5
- 448J8E5BST
- 695-039-9
- 85-01-8
- CAS-85-01-8
- CHEBI:28851
Show all 22 synonyms
- CHEMBL46730
- DTXCID904254
- DTXSID6024254
- MFCD00001168
- NSC-26256
- NSC26256
- Phenanthracene
- Phenanthren
- Phenanthren [German]
- Phenanthrene-13C2
- Phenanthrin
- Phenantrin
- Ravatite
- RefChem:6480
Structure identifiers
- Canonical SMILES
- C1=CC=C2C(=C1)C=CC3=CC=CC=C32
- Isomeric SMILES
- C1=CC=C2C(=C1)C=CC3=CC=CC=C32
- InChI
- InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
- InChIKey
- YNPNZTXNASCQKK-UHFFFAOYSA-N
- PubChem CID
- 995
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for PHENANTHRENE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for PHENANTHRENE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.