1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole

C54H39N3O — CID 140825520

IUPAC1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole
SMILESc1ccc(-c2ccc(-c3cc(Oc4cccc(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)c4)cc(N4CN(c5ccccc5)c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C54H39N3O/c1-4-13-39(14-5-1)41-23-27-43(28-24-41)45-31-32-55-52(36-45)46-17-12-20-50(34-46)58-51-35-47(44-29-25-42(26-30-44)40-15-6-2-7-16-40)33-49(37-51)57-38-56(48-18-8-3-9-19-48)53-21-10-11-22-54(53)57/h1-37H,38H2
InChIKeyZANVHSKZMZIBQP-UHFFFAOYSA-N
MW745.93 g/mol
LogP14.46
Rot. Bonds9

About 1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole

1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole (PubChem CID 140825520) has the molecular formula C54H39N3O and a molecular weight of 745.93 g/mol. Its IUPAC name is 1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole.

Molecular Properties

Compound Name1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole
PubChem CID140825520
Molecular FormulaC54H39N3O
Molecular Weight745.93 g/mol
Exact Mass745.31
IUPAC Name1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole
SMILESc1ccc(-c2ccc(-c3cc(Oc4cccc(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)c4)cc(N4CN(c5ccccc5)c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C54H39N3O/c1-4-13-39(14-5-1)41-23-27-43(28-24-41)45-31-32-55-52(36-45)46-17-12-20-50(34-46)58-51-35-47(44-29-25-42(26-30-44)40-15-6-2-7-16-40)33-49(37-51)57-38-56(48-18-8-3-9-19-48)53-21-10-11-22-54(53)57/h1-37H,38H2
InChIKeyZANVHSKZMZIBQP-UHFFFAOYSA-N
XLogP14.46
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.93
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-2-[3-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine
CID 168763339
2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 167401547
4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine
CID 168763379
2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine
CID 168758176
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine
CID 168758544
1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole
CID 166007124
2-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 155652686
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole
CID 162138399
9-[3-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]phenyl]pyrido[2,3-b]indole
CID 155650771
9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 163602316
2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 172533980

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole?
The IUPAC name of 1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole (CID 140825520) is 1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole.
What is the SMILES notation for 1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole?
The canonical SMILES for 1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole is c1ccc(-c2ccc(-c3cc(Oc4cccc(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)c4)cc(N4CN(c5ccccc5)c5ccccc54)c3)cc2)cc1.
What is the InChIKey of 1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole?
The InChIKey is ZANVHSKZMZIBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N3O/c1-4-13-39(14-5-1)41-23-27-43(28-24-41)45-31-32-55-52(36-45)46-17-12-20-50(34-46)58-51-35-47(44-29-25-42(26-30-44)40-15-6-2-7-16-40)33-49(37-51)57-38-56(48-18-8-3-9-19-48)53-21-10-11-22-54(53)57/h1-37H,38H2.
What are the key properties of 1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole?
1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole has a molecular weight of 745.93 g/mol, XLogP of 14.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole is sourced from PubChem (CID 140825520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).