About [4-[2-[4-[1-[4-[4-[2-[3-[1-[4-(4-methoxybenzoyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]benzoyl]phenyl]benzimidazol-2-yl]phenyl]-3H-benzimidazol-4-yl]phenyl]-(4-methylphenyl)methanone
[4-[2-[4-[1-[4-[4-[2-[3-[1-[4-(4-methoxybenzoyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]benzoyl]phenyl]benzimidazol-2-yl]phenyl]-3H-benzimidazol-4-yl]phenyl]-(4-methylphenyl)methanone (PubChem CID 59259657) has the molecular formula C81H54N8O4
and a molecular weight of 1203.37 g/mol. Its IUPAC name is [4-[2-[4-[1-[4-[4-[2-[3-[1-[4-(4-methoxybenzoyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]benzoyl]phenyl]benzimidazol-2-yl]phenyl]-3H-benzimidazol-4-yl]phenyl]-(4-methylphenyl)methanone.
Molecular Properties
| Compound Name | [4-[2-[4-[1-[4-[4-[2-[3-[1-[4-(4-methoxybenzoyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]benzoyl]phenyl]benzimidazol-2-yl]phenyl]-3H-benzimidazol-4-yl]phenyl]-(4-methylphenyl)methanone |
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| PubChem CID | 59259657 |
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| Molecular Formula | C81H54N8O4 |
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| Molecular Weight | 1203.37 g/mol |
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| Exact Mass | 1202.43 |
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| IUPAC Name | [4-[2-[4-[1-[4-[4-[2-[3-[1-[4-(4-methoxybenzoyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]benzoyl]phenyl]benzimidazol-2-yl]phenyl]-3H-benzimidazol-4-yl]phenyl]-(4-methylphenyl)methanone |
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| SMILES | COc1ccc(C(=O)c2ccc(-n3c(-c4cccc(-c5nc6ccccc6n5-c5ccc(C(=O)c6ccc(-n7c(-c8ccc(-c9nc%10cccc(-c%11ccc(C(=O)c%12ccc(C)cc%12)cc%11)c%10[nH]9)cc8)nc8ccccc87)cc6)cc5)c4)nc4ccccc43)cc2)cc1 |
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| InChI | InChI=1S/C81H54N8O4/c1-50-21-23-52(24-22-50)75(90)53-27-25-51(26-28-53)66-13-10-17-70-74(66)86-78(82-70)58-29-31-59(32-30-58)79-83-67-14-3-6-18-71(67)87(79)62-41-33-54(34-42-62)76(91)55-35-43-63(44-36-55)88-72-19-7-4-15-68(72)84-80(88)60-11-9-12-61(49-60)81-85-69-16-5-8-20-73(69)89(81)64-45-37-56(38-46-64)77(92)57-39-47-65(93-2)48-40-57/h3-49H,1-2H3,(H,82,86) |
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| InChIKey | NUBWBKIDXDKTRD-UHFFFAOYSA-N |
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| XLogP | 17.92 |
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| TPSA | 142.58 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 15 |
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| Heavy Atoms | 93 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1203.37 |
| LogP ≤ 5 | 17.92 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze [4-[2-[4-[1-[4-[4-[2-[3-[1-[4-(4-methoxybenzoyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]benzoyl]phenyl]benzimidazol-2-yl]phenyl]-3H-benzimidazol-4-yl]phenyl]-(4-methylphenyl)methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [4-[2-[4-[1-[4-[4-[2-[3-[1-[4-(4-methoxybenzoyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]benzoyl]phenyl]benzimidazol-2-yl]phenyl]-3H-benzimidazol-4-yl]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[2-[4-[1-[4-[4-[2-[3-[1-[4-(4-methoxybenzoyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]benzoyl]phenyl]benzimidazol-2-yl]phenyl]-3H-benzimidazol-4-yl]phenyl]-(4-methylphenyl)methanone (CID 59259657) is [4-[2-[4-[1-[4-[4-[2-[3-[1-[4-(4-methoxybenzoyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]benzoyl]phenyl]benzimidazol-2-yl]phenyl]-3H-benzimidazol-4-yl]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[2-[4-[1-[4-[4-[2-[3-[1-[4-(4-methoxybenzoyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]benzoyl]phenyl]benzimidazol-2-yl]phenyl]-3H-benzimidazol-4-yl]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[2-[4-[1-[4-[4-[2-[3-[1-[4-(4-methoxybenzoyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]benzoyl]phenyl]benzimidazol-2-yl]phenyl]-3H-benzimidazol-4-yl]phenyl]-(4-methylphenyl)methanone is COc1ccc(C(=O)c2ccc(-n3c(-c4cccc(-c5nc6ccccc6n5-c5ccc(C(=O)c6ccc(-n7c(-c8ccc(-c9nc%10cccc(-c%11ccc(C(=O)c%12ccc(C)cc%12)cc%11)c%10[nH]9)cc8)nc8ccccc87)cc6)cc5)c4)nc4ccccc43)cc2)cc1.
What is the InChIKey of [4-[2-[4-[1-[4-[4-[2-[3-[1-[4-(4-methoxybenzoyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]benzoyl]phenyl]benzimidazol-2-yl]phenyl]-3H-benzimidazol-4-yl]phenyl]-(4-methylphenyl)methanone?
The InChIKey is NUBWBKIDXDKTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H54N8O4/c1-50-21-23-52(24-22-50)75(90)53-27-25-51(26-28-53)66-13-10-17-70-74(66)86-78(82-70)58-29-31-59(32-30-58)79-83-67-14-3-6-18-71(67)87(79)62-41-33-54(34-42-62)76(91)55-35-43-63(44-36-55)88-72-19-7-4-15-68(72)84-80(88)60-11-9-12-61(49-60)81-85-69-16-5-8-20-73(69)89(81)64-45-37-56(38-46-64)77(92)57-39-47-65(93-2)48-40-57/h3-49H,1-2H3,(H,82,86).
What are the key properties of [4-[2-[4-[1-[4-[4-[2-[3-[1-[4-(4-methoxybenzoyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]benzoyl]phenyl]benzimidazol-2-yl]phenyl]-3H-benzimidazol-4-yl]phenyl]-(4-methylphenyl)methanone?
[4-[2-[4-[1-[4-[4-[2-[3-[1-[4-(4-methoxybenzoyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]benzoyl]phenyl]benzimidazol-2-yl]phenyl]-3H-benzimidazol-4-yl]phenyl]-(4-methylphenyl)methanone has a molecular weight of 1203.37 g/mol, XLogP of 17.92, 15 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-[1-[4-[4-[2-[3-[1-[4-(4-methoxybenzoyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]benzoyl]phenyl]benzimidazol-2-yl]phenyl]-3H-benzimidazol-4-yl]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 59259657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).