2,2-bis(2-chlorophenyl)-4,5,5-triphenyl-1-(5-phenyl-1H-imidazol-2-yl)imidazole

C42H30Cl2N4 — CID 19962695

IUPAC2,2-bis(2-chlorophenyl)-4,5,5-triphenyl-1-(5-phenyl-1H-imidazol-2-yl)imidazole
SMILESClc1ccccc1C1(c2ccccc2Cl)N=C(c2ccccc2)C(c2ccccc2)(c2ccccc2)N1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C42H30Cl2N4/c43-36-27-15-13-25-34(36)42(35-26-14-16-28-37(35)44)47-39(31-19-7-2-8-20-31)41(32-21-9-3-10-22-32,33-23-11-4-12-24-33)48(42)40-45-29-38(46-40)30-17-5-1-6-18-30/h1-29H,(H,45,46)
InChIKeyPJSQQMKRQXCDSX-UHFFFAOYSA-N
MW661.64 g/mol
LogP10.54
Rot. Bonds7

About 2,2-bis(2-chlorophenyl)-4,5,5-triphenyl-1-(5-phenyl-1H-imidazol-2-yl)imidazole

2,2-bis(2-chlorophenyl)-4,5,5-triphenyl-1-(5-phenyl-1H-imidazol-2-yl)imidazole (PubChem CID 19962695) has the molecular formula C42H30Cl2N4 and a molecular weight of 661.64 g/mol. Its IUPAC name is 2,2-bis(2-chlorophenyl)-4,5,5-triphenyl-1-(5-phenyl-1H-imidazol-2-yl)imidazole.

Molecular Properties

Compound Name2,2-bis(2-chlorophenyl)-4,5,5-triphenyl-1-(5-phenyl-1H-imidazol-2-yl)imidazole
PubChem CID19962695
Molecular FormulaC42H30Cl2N4
Molecular Weight661.64 g/mol
Exact Mass660.18
IUPAC Name2,2-bis(2-chlorophenyl)-4,5,5-triphenyl-1-(5-phenyl-1H-imidazol-2-yl)imidazole
SMILESClc1ccccc1C1(c2ccccc2Cl)N=C(c2ccccc2)C(c2ccccc2)(c2ccccc2)N1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C42H30Cl2N4/c43-36-27-15-13-25-34(36)42(35-26-14-16-28-37(35)44)47-39(31-19-7-2-8-20-31)41(32-21-9-3-10-22-32,33-23-11-4-12-24-33)48(42)40-45-29-38(46-40)30-17-5-1-6-18-30/h1-29H,(H,45,46)
InChIKeyPJSQQMKRQXCDSX-UHFFFAOYSA-N
XLogP10.54
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.64
LogP ≤ 510.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-chlorophenyl)-4,5,5-triphenyl-1-(5-phenyl-1H-imidazol-2-yl)imidazole?
The IUPAC name of 2,2-bis(2-chlorophenyl)-4,5,5-triphenyl-1-(5-phenyl-1H-imidazol-2-yl)imidazole (CID 19962695) is 2,2-bis(2-chlorophenyl)-4,5,5-triphenyl-1-(5-phenyl-1H-imidazol-2-yl)imidazole.
What is the SMILES notation for 2,2-bis(2-chlorophenyl)-4,5,5-triphenyl-1-(5-phenyl-1H-imidazol-2-yl)imidazole?
The canonical SMILES for 2,2-bis(2-chlorophenyl)-4,5,5-triphenyl-1-(5-phenyl-1H-imidazol-2-yl)imidazole is Clc1ccccc1C1(c2ccccc2Cl)N=C(c2ccccc2)C(c2ccccc2)(c2ccccc2)N1c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 2,2-bis(2-chlorophenyl)-4,5,5-triphenyl-1-(5-phenyl-1H-imidazol-2-yl)imidazole?
The InChIKey is PJSQQMKRQXCDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30Cl2N4/c43-36-27-15-13-25-34(36)42(35-26-14-16-28-37(35)44)47-39(31-19-7-2-8-20-31)41(32-21-9-3-10-22-32,33-23-11-4-12-24-33)48(42)40-45-29-38(46-40)30-17-5-1-6-18-30/h1-29H,(H,45,46).
What are the key properties of 2,2-bis(2-chlorophenyl)-4,5,5-triphenyl-1-(5-phenyl-1H-imidazol-2-yl)imidazole?
2,2-bis(2-chlorophenyl)-4,5,5-triphenyl-1-(5-phenyl-1H-imidazol-2-yl)imidazole has a molecular weight of 661.64 g/mol, XLogP of 10.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-chlorophenyl)-4,5,5-triphenyl-1-(5-phenyl-1H-imidazol-2-yl)imidazole is sourced from PubChem (CID 19962695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).