Back to Search
4H-Cyclopenta[Def]Phenanthrene
CAS: 203-64-5 | C15H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
203-64-5
Molecular Formula:
C15H10
Molecular Mass:
190.24 g/mol
Names and Synonyms:
4H-Cyclopenta[Def]Phenanthrene
4H-Cyclopenta[def]phenanthrene
Benzo[def]fluorene
Methane, 4,5-phenanthrylene-
4,5-Methylenephenanthrene
Phenanthrene, 4,5-methylene-
4,5-Phenanthrylenemethane
Methylenephenanthrene
NSC 88888
Identifiers:
SMILES:
c1cc2c3c(c1)ccc1cccc(c13)C2
InChI:
InChI=1S/C15H10/c1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13/h1-8H,9H2
Key Properties
Boiling Point
353 °C
CAS Common Chemistry
Melting Point
114 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.24 g/mol | CAS Common Chemistry |
| 190.24499999999995 g/mol | RDKit | |
| 190.07825032 g/mol | RDKit | |
| Boiling Point | 353 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=C2C=CC3=CC=CC4=C3C2=C(C1)C4 | CAS Common Chemistry |
| InChI | InChI=1S/C15H10/c1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13/h1-8H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RKZDZWJDQTZDLD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 114 °C | CAS Common Chemistry |
| Name | 4H-Cyclopenta[def]phenanthrene | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.8972000000000016 | RDKit |
| Molar Refractivity | 64.26000000000003 | RDKit |
