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Diphenylfulvene
CAS: 2175-90-8 | C18H14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2175-90-8
Molecular Formula:
C18H14
Molecular Mass:
230.31 g/mol
Names and Synonyms:
Diphenylfulvene
Benzene, 1,1′-(2,4-cyclopentadien-1-ylidenemethylene)bis-
Methane, 2,4-cyclopentadien-1-ylidenediphenyl-
Benzene, (2,4-cyclopentadien-1-ylidenephenylmethyl)-
Fulvene, 6,6-diphenyl-
1,1′-(2,4-Cyclopentadien-1-ylidenemethylene)bis[benzene]
Diphenylfulvene
6,6-Diphenylfulvene
5-(Diphenylmethylene)-1,3-cyclopentadiene
NSC 402188
6,6-Diphenylpentafulvene
[2-(Cyclopenta-2,4-dienylidene)propane-1,3-diyl]dibenzene
[Cyclopenta-2,4-dien-1-ylidene(phenyl)methyl]benzene
Identifiers:
SMILES:
C1=CC(=C(c2ccccc2)c2ccccc2)C=C1
InChI:
InChI=1S/C18H14/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-14H
Key Properties
Boiling Point
309 °C
CAS Common Chemistry
Melting Point
82 °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 | 230.31 g/mol | CAS Common Chemistry |
| 230.30999999999997 g/mol | RDKit | |
| 230.109550448 g/mol | RDKit | |
| Boiling Point | 309 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C(C=2C=CC=CC2)=C3C=CC=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H14/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-14H | CAS Common Chemistry |
| InChI Key | InChIKey=BULLHRADHZGONG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 82 °C | CAS Common Chemistry |
| Name | Diphenylfulvene | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.614500000000002 | RDKit |
| Molar Refractivity | 77.18600000000004 | RDKit |
