chempirical
Back to Search

Molecule

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

Identifiers

CAS Registry Number

7189-82-4

SMILES

Clc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1C1(c2ccccc2Cl)N=C(c2ccccc2)C(c2ccccc2)=N1

InChI Key

MHDULSOPQSUKBQ-UHFFFAOYSA-N

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

Names and Synonyms

  • 2,2′-Bis(2-Chlorophenyl)-4,4′,5,5′-Tetraphenyl-1,2′-Biimidazole Synonym
  • 1H-Imidazole, 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl- Synonym
  • Imidazole, 2-(o-chlorophenyl)-1-[2-(o-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl- Synonym
  • 2-(2-Chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-1H-imidazole Synonym
  • 2,2′-Bis(o-chlorophenyl)-4,4′,5,5′-tetraphenyl-1,2′-biimidazole Synonym
  • 2,2′-Bis(2-chlorophenyl)-4,4′,5,5′-tetraphenyl-1,2′-biimidazole Synonym
  • 2,2′-Bis(o-chlorophenyl)-4,4′,5,5′-tetraphenyl-1,2′-diimidazole Synonym
  • 2,2′-Bis(2-chlorophenyl)-4,5,4′,5′-tetraphenyl-1,2′-biimidazole Synonym
  • 2-(2-Chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-1,3-diazol-2-yl]-4,5-diphenylimidazole Synonym
  • 2,2′-Bis(o-chlorophenyl)-4,5,4′,5′-tetraphenyl-1,2′-biimidazole Synonym
  • o-Cl-HABI Synonym
  • o-Cl-HABI Synonym
  • BIMD Synonym
  • Speedcure BCIM Synonym
  • 2,2-Bis-(2-chlorophenyl)-4,5,4′,5′-tetraphenyl-2′H-[1,2]biimidazolyl Synonym
  • 2-(2-Chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole Synonym
  • HABI 1-2 Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 659.62 g/mol CAS Common Chemistry
659.6200000000001 g/mol RDKit
659.614 g/mol chempirical lib
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
3 RDKit
Hydrogen Bond Donors 0 RDKit
Rotatable Bonds 7 RDKit
Aromatic Ring Count 7 RDKit
Topological Polar Surface Area 42.54 Ų RDKit
40.09 Ų chempirical lib
LogP 10.841699999999989 RDKit
10.8417 RDKit
Molar Refractivity 198.03099999999955 cm³/mol RDKit
Ring Count 8 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.0238 RDKit
Exact Mass 658.169102256 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

Convert

Quick conversion

MW = 659.62 g/mol. Edit any field — others recompute live.

Related

Related molecules

Other compounds with formula C42H28Cl2N4.

1,1′-Bi-1H-imidazole, 2,2′-bis(2-chlorophenyl)-4,4′,5,5′-tetraphenyl- CAS 1707-68-2

Recent Searches

Acetone
Ethanol
↑ ↓ Navigate
esc Close