2-(3-fluorophenyl)-2-[2-(3-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole

C42H28F2N4 — CID 21441319

IUPAC2-(3-fluorophenyl)-2-[2-(3-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
SMILESFc1cccc(C2(C3(c4cccc(F)c4)N=C(c4ccccc4)C(c4ccccc4)=N3)N=C(c3ccccc3)C(c3ccccc3)=N2)c1
InChIInChI=1S/C42H28F2N4/c43-35-25-13-23-33(27-35)41(45-37(29-15-5-1-6-16-29)38(46-41)30-17-7-2-8-18-30)42(34-24-14-26-36(44)28-34)47-39(31-19-9-3-10-20-31)40(48-42)32-21-11-4-12-22-32/h1-28H
InChIKeyZICPDJWAFPWVCW-UHFFFAOYSA-N
MW626.71 g/mol
LogP8.95
Rot. Bonds7

About 2-(3-fluorophenyl)-2-[2-(3-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole

2-(3-fluorophenyl)-2-[2-(3-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole (PubChem CID 21441319) has the molecular formula C42H28F2N4 and a molecular weight of 626.71 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[2-(3-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[2-(3-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
PubChem CID21441319
Molecular FormulaC42H28F2N4
Molecular Weight626.71 g/mol
Exact Mass626.23
IUPAC Name2-(3-fluorophenyl)-2-[2-(3-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
SMILESFc1cccc(C2(C3(c4cccc(F)c4)N=C(c4ccccc4)C(c4ccccc4)=N3)N=C(c3ccccc3)C(c3ccccc3)=N2)c1
InChIInChI=1S/C42H28F2N4/c43-35-25-13-23-33(27-35)41(45-37(29-15-5-1-6-16-29)38(46-41)30-17-7-2-8-18-30)42(34-24-14-26-36(44)28-34)47-39(31-19-9-3-10-20-31)40(48-42)32-21-11-4-12-22-32/h1-28H
InChIKeyZICPDJWAFPWVCW-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-(3-fluorophenyl)-2-[2-(3-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
The IUPAC name of 2-(3-fluorophenyl)-2-[2-(3-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole (CID 21441319) is 2-(3-fluorophenyl)-2-[2-(3-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[2-(3-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
The canonical SMILES for 2-(3-fluorophenyl)-2-[2-(3-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole is Fc1cccc(C2(C3(c4cccc(F)c4)N=C(c4ccccc4)C(c4ccccc4)=N3)N=C(c3ccccc3)C(c3ccccc3)=N2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[2-(3-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
The InChIKey is ZICPDJWAFPWVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28F2N4/c43-35-25-13-23-33(27-35)41(45-37(29-15-5-1-6-16-29)38(46-41)30-17-7-2-8-18-30)42(34-24-14-26-36(44)28-34)47-39(31-19-9-3-10-20-31)40(48-42)32-21-11-4-12-22-32/h1-28H.
What are the key properties of 2-(3-fluorophenyl)-2-[2-(3-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
2-(3-fluorophenyl)-2-[2-(3-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-(3-fluorophenyl)-2-[2-(3-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole is sourced from PubChem (CID 21441319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).