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2,2′-Bis(2-Chlorophenyl)-4,4′,5,5′-Tetraphenyl-1,2′-Biimidazole
CAS: 7189-82-4 | C42H28Cl2N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7189-82-4
Molecular Formula:
C42H28Cl2N4
Molecular Mass:
659.62 g/mol
Names and Synonyms:
2,2′-Bis(2-Chlorophenyl)-4,4′,5,5′-Tetraphenyl-1,2′-Biimidazole
1H-Imidazole, 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-
Imidazole, 2-(o-chlorophenyl)-1-[2-(o-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-
2-(2-Chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-1H-imidazole
2,2′-Bis(o-chlorophenyl)-4,4′,5,5′-tetraphenyl-1,2′-biimidazole
2,2′-Bis(2-chlorophenyl)-4,4′,5,5′-tetraphenyl-1,2′-biimidazole
2,2′-Bis(o-chlorophenyl)-4,4′,5,5′-tetraphenyl-1,2′-diimidazole
2,2′-Bis(2-chlorophenyl)-4,5,4′,5′-tetraphenyl-1,2′-biimidazole
2-(2-Chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-1,3-diazol-2-yl]-4,5-diphenylimidazole
2,2′-Bis(o-chlorophenyl)-4,5,4′,5′-tetraphenyl-1,2′-biimidazole
o-Cl-HABI
o-Cl-HABI
BIMD
Speedcure BCIM
2,2-Bis-(2-chlorophenyl)-4,5,4′,5′-tetraphenyl-2′H-[1,2]biimidazolyl
2-(2-Chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
HABI 1-2
Identifiers:
SMILES:
Clc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1C1(c2ccccc2Cl)N=C(c2ccccc2)C(c2ccccc2)=N1
InChI:
InChI=1S/C42H28Cl2N4/c43-35-27-15-13-25-33(35)41-45-39(31-21-9-3-10-22-31)40(32-23-11-4-12-24-32)48(41)42(34-26-14-16-28-36(34)44)46-37(29-17-5-1-6-18-29)38(47-42)30-19-7-2-8-20-30/h1-28H
Key Properties
Melting Point
208.5 °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 | 659.62 g/mol | CAS Common Chemistry |
| 659.6200000000001 g/mol | RDKit | |
| 658.169102256 g/mol | RDKit | |
| Canonical SMILES | ClC=1C=CC=CC1C2=NC(C=3C=CC=CC3)=C(C=4C=CC=CC4)N2C5(N=C(C=6C=CC=CC6)C(=N5)C7=CC=CC=C7)C=8C=CC=CC8Cl | CAS Common Chemistry |
| InChI | InChI=1S/C42H28Cl2N4/c43-35-27-15-13-25-33(35)41-45-39(31-21-9-3-10-22-31)40(32-23-11-4-12-24-32)48(41)42(34-26-14-16-28-36(34)44)46-37(29-17-5-1-6-18-29)38(47-42)30-19-7-2-8-20-30/h1-28H | CAS Common Chemistry |
| InChI Key | InChIKey=MHDULSOPQSUKBQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 208.5 °C | CAS Common Chemistry |
| Name | 2,2′-Bis(2-chlorophenyl)-4,4′,5,5′-tetraphenyl-1,2′-biimidazole | CAS Common Chemistry |
| Heavy Atom Count | 48 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 7 | RDKit |
| Topological Polar Surface Area | 42.54 Ų | RDKit |
| LogP | 10.841699999999989 | RDKit |
| Molar Refractivity | 198.03099999999955 | RDKit |
