2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine

C60H43N3 — CID 162716933

IUPAC2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(-c3nc(-c4ccccn4)[nH]c3-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C60H43N3/c1-7-21-43(22-8-1)54(44-23-9-2-10-24-44)56(47-29-15-5-16-30-47)49-34-38-51(39-35-49)58-59(63-60(62-58)53-33-19-20-42-61-53)52-40-36-50(37-41-52)57(48-31-17-6-18-32-48)55(45-25-11-3-12-26-45)46-27-13-4-14-28-46/h1-42H,(H,62,63)
InChIKeyILLPASPDMUNWFY-UHFFFAOYSA-N
MW806.03 g/mol
LogP14.82
Rot. Bonds11

About 2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine

2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine (PubChem CID 162716933) has the molecular formula C60H43N3 and a molecular weight of 806.03 g/mol. Its IUPAC name is 2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine
PubChem CID162716933
Molecular FormulaC60H43N3
Molecular Weight806.03 g/mol
Exact Mass805.35
IUPAC Name2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(-c3nc(-c4ccccn4)[nH]c3-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C60H43N3/c1-7-21-43(22-8-1)54(44-23-9-2-10-24-44)56(47-29-15-5-16-30-47)49-34-38-51(39-35-49)58-59(63-60(62-58)53-33-19-20-42-61-53)52-40-36-50(37-41-52)57(48-31-17-6-18-32-48)55(45-25-11-3-12-26-45)46-27-13-4-14-28-46/h1-42H,(H,62,63)
InChIKeyILLPASPDMUNWFY-UHFFFAOYSA-N
XLogP14.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.03
LogP ≤ 514.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3,5-dichlorophenyl)-5-phenyl-1H-imidazol-2-yl]pyridine
CID 150454415
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol
CID 135859941
5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione
CID 500949
[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135438613
[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-bromophenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495717
bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
CID 3106846
2-[2-(4-chlorophenyl)-4-pyridin-2-yl-1H-imidazol-5-yl]pyridine
CID 11099647
4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 3123820
bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
CID 3106847
2-pyridin-2-yl-3H-benzimidazole-5-carboxylate
CID 7044978

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine?
The IUPAC name of 2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine (CID 162716933) is 2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine.
What is the SMILES notation for 2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine?
The canonical SMILES for 2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine is c1ccc(C(=C(c2ccccc2)c2ccc(-c3nc(-c4ccccn4)[nH]c3-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine?
The InChIKey is ILLPASPDMUNWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N3/c1-7-21-43(22-8-1)54(44-23-9-2-10-24-44)56(47-29-15-5-16-30-47)49-34-38-51(39-35-49)58-59(63-60(62-58)53-33-19-20-42-61-53)52-40-36-50(37-41-52)57(48-31-17-6-18-32-48)55(45-25-11-3-12-26-45)46-27-13-4-14-28-46/h1-42H,(H,62,63).
What are the key properties of 2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine?
2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine has a molecular weight of 806.03 g/mol, XLogP of 14.82, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine is sourced from PubChem (CID 162716933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).