1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole

C48H36N2O — CID 155174914

IUPAC1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole
SMILESCOc1ccc(-n2c(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C48H36N2O/c1-51-43-33-31-42(32-34-43)50-47(40-25-15-6-16-26-40)46(39-23-13-5-14-24-39)49-48(50)41-29-27-38(28-30-41)45(37-21-11-4-12-22-37)44(35-17-7-2-8-18-35)36-19-9-3-10-20-36/h2-34H,1H3
InChIKeyAOGCTJDDNBGORC-UHFFFAOYSA-N
MW656.83 g/mol
LogP11.89
Rot. Bonds9

About 1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole

1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole (PubChem CID 155174914) has the molecular formula C48H36N2O and a molecular weight of 656.83 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole
PubChem CID155174914
Molecular FormulaC48H36N2O
Molecular Weight656.83 g/mol
Exact Mass656.28
IUPAC Name1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole
SMILESCOc1ccc(-n2c(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C48H36N2O/c1-51-43-33-31-42(32-34-43)50-47(40-25-15-6-16-26-40)46(39-23-13-5-14-24-39)49-48(50)41-29-27-38(28-30-41)45(37-21-11-4-12-22-37)44(35-17-7-2-8-18-35)36-19-9-3-10-20-36/h2-34H,1H3
InChIKeyAOGCTJDDNBGORC-UHFFFAOYSA-N
XLogP11.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.83
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole?
The IUPAC name of 1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole (CID 155174914) is 1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole?
The canonical SMILES for 1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole is COc1ccc(-n2c(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole?
The InChIKey is AOGCTJDDNBGORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2O/c1-51-43-33-31-42(32-34-43)50-47(40-25-15-6-16-26-40)46(39-23-13-5-14-24-39)49-48(50)41-29-27-38(28-30-41)45(37-21-11-4-12-22-37)44(35-17-7-2-8-18-35)36-19-9-3-10-20-36/h2-34H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole?
1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole has a molecular weight of 656.83 g/mol, XLogP of 11.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole is sourced from PubChem (CID 155174914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).