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Molecule
9,9-Dimethyl-N-[1,1′:3′,1′′-Terphenyl]-5′-Yl-9H-Fluoren-2-Amine
CAS: 1372778-68-1 · C33H27N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1372778-68-1
- Molecular Formula
- C33H27N
- Molecular Mass
- 437.59 g/mol
Identifiers
CAS Registry Number
1372778-68-1
SMILES
CC1(C)c2ccccc2-c2ccc(Nc3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21
InChI Key
XEGCRHCBYHQFMC-UHFFFAOYSA-N
InChI
InChI=1S/C33H27N/c1-33(2)31-16-10-9-15-29(31)30-18-17-27(22-32(30)33)34-28-20-25(23-11-5-3-6-12-23)19-26(21-28)24-13-7-4-8-14-24/h3-22,34H,1-2H3
Names and Synonyms
- 9,9-Dimethyl-N-[1,1′:3′,1′′-Terphenyl]-5′-Yl-9H-Fluoren-2-Amine Synonym
- 9H-Fluoren-2-amine, 9,9-dimethyl-N-[1,1′:3′,1′′-terphenyl]-5′-yl- Synonym
- 9,9-Dimethyl-N-[1,1′:3′,1′′-terphenyl]-5′-yl-9H-fluoren-2-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 437.59 g/mol | CAS Common Chemistry |
| 437.5860000000001 g/mol | RDKit | |
| 437.586 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)C=2C=C(C=C(C2)C=3C=CC=CC3)NC4=CC=C5C=6C=CC=CC6C(C5=C4)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C33H27N/c1-33(2)31-16-10-9-15-29(31)30-18-17-27(22-32(30)33)34-28-20-25(23-11-5-3-6-12-23)19-26(21-28)24-13-7-4-8-14-24/h3-22,34H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XEGCRHCBYHQFMC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 9,9-Dimethyl-N-[1,1′:3′,1′′-terphenyl]-5′-yl-9H-fluoren-2-amine | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 9.0705 | RDKit |
| Molar Refractivity | 144.6026999999998 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0909 | RDKit |
| 0.09 | chempirical lib | |
| Exact Mass | 437.214349864 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 437.59 g/mol. Edit any field — others recompute live.
