2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole

C47H32N2S — CID 156553684

IUPAC2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole
SMILESc1ccc(-c2cn(-c3cccc(-c4ccccc4)c3-c3sc(-c4ccccc4-c4ccccc4)c4ccccc34)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H32N2S/c1-5-18-33(19-6-1)37-26-13-14-27-39(37)45-40-28-15-16-29-41(40)46(50-45)44-38(34-20-7-2-8-21-34)30-17-31-43(44)49-32-42(35-22-9-3-10-23-35)48-47(49)36-24-11-4-12-25-36/h1-32H
InChIKeyXWKSOVIRUJRYDX-UHFFFAOYSA-N
MW656.85 g/mol
LogP13.09
Rot. Bonds7

About 2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole

2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole (PubChem CID 156553684) has the molecular formula C47H32N2S and a molecular weight of 656.85 g/mol. Its IUPAC name is 2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole.

Molecular Properties

Compound Name2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole
PubChem CID156553684
Molecular FormulaC47H32N2S
Molecular Weight656.85 g/mol
Exact Mass656.23
IUPAC Name2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole
SMILESc1ccc(-c2cn(-c3cccc(-c4ccccc4)c3-c3sc(-c4ccccc4-c4ccccc4)c4ccccc34)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H32N2S/c1-5-18-33(19-6-1)37-26-13-14-27-39(37)45-40-28-15-16-29-41(40)46(50-45)44-38(34-20-7-2-8-21-34)30-17-31-43(44)49-32-42(35-22-9-3-10-23-35)48-47(49)36-24-11-4-12-25-36/h1-32H
InChIKeyXWKSOVIRUJRYDX-UHFFFAOYSA-N
XLogP13.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.85
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole?
The IUPAC name of 2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole (CID 156553684) is 2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole.
What is the SMILES notation for 2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole?
The canonical SMILES for 2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole is c1ccc(-c2cn(-c3cccc(-c4ccccc4)c3-c3sc(-c4ccccc4-c4ccccc4)c4ccccc34)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole?
The InChIKey is XWKSOVIRUJRYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2S/c1-5-18-33(19-6-1)37-26-13-14-27-39(37)45-40-28-15-16-29-41(40)46(50-45)44-38(34-20-7-2-8-21-34)30-17-31-43(44)49-32-42(35-22-9-3-10-23-35)48-47(49)36-24-11-4-12-25-36/h1-32H.
What are the key properties of 2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole?
2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole has a molecular weight of 656.85 g/mol, XLogP of 13.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole is sourced from PubChem (CID 156553684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).