2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole

C44H32N4O3 — CID 3106630

IUPAC2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7ccc(OC)cc7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C44H32N4O3/c1-49-33-19-13-29(14-20-33)43-45-39(27-9-5-3-6-10-27)41(47-43)31-17-23-37-35(25-31)36-26-32(18-24-38(36)51-37)42-40(28-11-7-4-8-12-28)46-44(48-42)30-15-21-34(50-2)22-16-30/h3-26H,1-2H3,(H,45,47)(H,46,48)
InChIKeyXWHBBKYZURKRTE-UHFFFAOYSA-N
MW664.77 g/mol
LogP11.05
Rot. Bonds8

About 2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole

2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole (PubChem CID 3106630) has the molecular formula C44H32N4O3 and a molecular weight of 664.77 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole
PubChem CID3106630
Molecular FormulaC44H32N4O3
Molecular Weight664.77 g/mol
Exact Mass664.25
IUPAC Name2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7ccc(OC)cc7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C44H32N4O3/c1-49-33-19-13-29(14-20-33)43-45-39(27-9-5-3-6-10-27)41(47-43)31-17-23-37-35(25-31)36-26-32(18-24-38(36)51-37)42-40(28-11-7-4-8-12-28)46-44(48-42)30-15-21-34(50-2)22-16-30/h3-26H,1-2H3,(H,45,47)(H,46,48)
InChIKeyXWHBBKYZURKRTE-UHFFFAOYSA-N
XLogP11.05
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.77
LogP ≤ 511.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-5-[8-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-4-phenyl-1H-imidazole
CID 135415841
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
N-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide
CID 135495715
2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 6617735
bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate
CID 157413088
3-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 135420505
acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole)
CID 163330799
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495721
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole
CID 1110224
4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol
CID 135446515

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole?
The IUPAC name of 2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole (CID 3106630) is 2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole is COc1ccc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7ccc(OC)cc7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole?
The InChIKey is XWHBBKYZURKRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N4O3/c1-49-33-19-13-29(14-20-33)43-45-39(27-9-5-3-6-10-27)41(47-43)31-17-23-37-35(25-31)36-26-32(18-24-38(36)51-37)42-40(28-11-7-4-8-12-28)46-44(48-42)30-15-21-34(50-2)22-16-30/h3-26H,1-2H3,(H,45,47)(H,46,48).
What are the key properties of 2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole?
2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole has a molecular weight of 664.77 g/mol, XLogP of 11.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole is sourced from PubChem (CID 3106630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).