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Molecule
Madn
CAS: 804560-00-7 · C35H24
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 804560-00-7
- Molecular Formula
- C35H24
- Molecular Mass
- 444.58 g/mol
Identifiers
CAS Registry Number
804560-00-7
SMILES
Cc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1
InChI Key
HNWFFTUWRIGBNM-UHFFFAOYSA-N
InChI
InChI=1S/C35H24/c1-23-14-19-32-33(20-23)35(29-18-16-25-9-3-5-11-27(25)22-29)31-13-7-6-12-30(31)34(32)28-17-15-24-8-2-4-10-26(24)21-28/h2-22H,1H3
Names and Synonyms
- Madn Synonym
- Anthracene, 2-methyl-9,10-di-2-naphthalenyl- Synonym
- 2-Methyl-9,10-di-2-naphthalenylanthracene Synonym
- 2-Methyl-9,10-di(2-naphthyl)anthracene Synonym
- MADN Synonym
- LT-E 410 Synonym
- 2-Methyl-9,10-bis(naphthalen-2-yl)anthracene Synonym
- 2-Methyl-9,10-di(2′-naphthyl)anthracene Synonym
- 2-Methyl-9,10-di(7-naphthalenyl)anthracene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 444.58 g/mol | CAS Common Chemistry |
| 444.5770000000002 g/mol | RDKit | |
| 444.577 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC=2C=C(C=CC2C1)C=3C=4C=CC=CC4C(C=5C=CC=6C=CC=CC6C5)=C7C=C(C=CC73)C | CAS Common Chemistry |
| InChI | InChI=1S/C35H24/c1-23-14-19-32-33(20-23)35(29-18-16-25-9-3-5-11-27(25)22-29)31-13-7-6-12-30(31)34(32)28-17-15-24-8-2-4-10-26(24)21-28/h2-22H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HNWFFTUWRIGBNM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | MADN | CAS Common Chemistry |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 7 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 9.941819999999993 | RDKit |
| 9.9418 | RDKit | |
| Molar Refractivity | 152.07499999999968 cm³/mol | RDKit |
| Ring Count | 7 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0286 | RDKit |
| 0.03 | chempirical lib | |
| Exact Mass | 444.187800768 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 444.58 g/mol. Edit any field — others recompute live.
