2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole

C42H28F2N4 — CID 22174300

IUPAC2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
SMILESFc1ccccc1C1(C2(c3ccccc3F)N=C(c3ccccc3)C(c3ccccc3)=N2)N=C(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C42H28F2N4/c43-35-27-15-13-25-33(35)41(45-37(29-17-5-1-6-18-29)38(46-41)30-19-7-2-8-20-30)42(34-26-14-16-28-36(34)44)47-39(31-21-9-3-10-22-31)40(48-42)32-23-11-4-12-24-32/h1-28H
InChIKeyOBNDKPYBWSTKBI-UHFFFAOYSA-N
MW626.71 g/mol
LogP8.95
Rot. Bonds7

About 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole

2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole (PubChem CID 22174300) has the molecular formula C42H28F2N4 and a molecular weight of 626.71 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
PubChem CID22174300
Molecular FormulaC42H28F2N4
Molecular Weight626.71 g/mol
Exact Mass626.23
IUPAC Name2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
SMILESFc1ccccc1C1(C2(c3ccccc3F)N=C(c3ccccc3)C(c3ccccc3)=N2)N=C(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C42H28F2N4/c43-35-27-15-13-25-33(35)41(45-37(29-17-5-1-6-18-29)38(46-41)30-19-7-2-8-20-30)42(34-26-14-16-28-36(34)44)47-39(31-21-9-3-10-22-31)40(48-42)32-23-11-4-12-24-32/h1-28H
InChIKeyOBNDKPYBWSTKBI-UHFFFAOYSA-N
XLogP8.95
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.71
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
The IUPAC name of 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole (CID 22174300) is 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole.
What is the SMILES notation for 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
The canonical SMILES for 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole is Fc1ccccc1C1(C2(c3ccccc3F)N=C(c3ccccc3)C(c3ccccc3)=N2)N=C(c2ccccc2)C(c2ccccc2)=N1.
What is the InChIKey of 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
The InChIKey is OBNDKPYBWSTKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28F2N4/c43-35-27-15-13-25-33(35)41(45-37(29-17-5-1-6-18-29)38(46-41)30-19-7-2-8-20-30)42(34-26-14-16-28-36(34)44)47-39(31-21-9-3-10-22-31)40(48-42)32-23-11-4-12-24-32/h1-28H.
What are the key properties of 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole has a molecular weight of 626.71 g/mol, XLogP of 8.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole is sourced from PubChem (CID 22174300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).