1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole

C65H59N3O — CID 167355445

IUPAC1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole
SMILESCOc1c(C)cc(C)cc1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)c3)cccc2n1-c1cc(C(C)(C)C)ccc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C65H59N3O/c1-42-35-43(2)62(69-9)57(36-42)63-67-61-56(21-16-22-59(61)68(63)60-41-54(65(6,7)8)31-32-55(60)48-27-29-53(30-28-48)64(3,4)5)51-37-50(45-19-14-11-15-20-45)38-52(39-51)58-40-49(33-34-66-58)47-25-23-46(24-26-47)44-17-12-10-13-18-44/h10-41H,1-9H3
InChIKeyTXUSCWGXAHIOEY-UHFFFAOYSA-N
MW898.21 g/mol
LogP17.31
Rot. Bonds9

About 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole

1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole (PubChem CID 167355445) has the molecular formula C65H59N3O and a molecular weight of 898.21 g/mol. Its IUPAC name is 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole
PubChem CID167355445
Molecular FormulaC65H59N3O
Molecular Weight898.21 g/mol
Exact Mass897.47
IUPAC Name1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole
SMILESCOc1c(C)cc(C)cc1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)c3)cccc2n1-c1cc(C(C)(C)C)ccc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C65H59N3O/c1-42-35-43(2)62(69-9)57(36-42)63-67-61-56(21-16-22-59(61)68(63)60-41-54(65(6,7)8)31-32-55(60)48-27-29-53(30-28-48)64(3,4)5)51-37-50(45-19-14-11-15-20-45)38-52(39-51)58-40-49(33-34-66-58)47-25-23-46(24-26-47)44-17-12-10-13-18-44/h10-41H,1-9H3
InChIKeyTXUSCWGXAHIOEY-UHFFFAOYSA-N
XLogP17.31
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.21
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)benzimidazole
CID 167355252
1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole
CID 167355185
4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)benzimidazole
CID 167356072
4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)benzimidazole
CID 167355958
2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol
CID 153476525
1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]benzimidazole
CID 167356031
1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole
CID 167355083
1-(3-tert-butyl-5-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]-2-(2-methoxy-3,5-dimethylphenyl)benzimidazole
CID 167356283
1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+)
CID 167355444
4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)benzimidazole
CID 167356115
2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-1-[4-(4-tert-butylphenyl)-5-methyl-2-phenylphenyl]benzimidazol-2-yl]-4,6-dimethylphenol
CID 163953945
2-[1-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol
CID 163853281

Frequently Asked Questions

What is the IUPAC name of 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole?
The IUPAC name of 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole (CID 167355445) is 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole.
What is the SMILES notation for 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole?
The canonical SMILES for 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole is COc1c(C)cc(C)cc1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)c3)cccc2n1-c1cc(C(C)(C)C)ccc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole?
The InChIKey is TXUSCWGXAHIOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H59N3O/c1-42-35-43(2)62(69-9)57(36-42)63-67-61-56(21-16-22-59(61)68(63)60-41-54(65(6,7)8)31-32-55(60)48-27-29-53(30-28-48)64(3,4)5)51-37-50(45-19-14-11-15-20-45)38-52(39-51)58-40-49(33-34-66-58)47-25-23-46(24-26-47)44-17-12-10-13-18-44/h10-41H,1-9H3.
What are the key properties of 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole?
1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole has a molecular weight of 898.21 g/mol, XLogP of 17.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole is sourced from PubChem (CID 167355445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).