About 1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole
1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole (PubChem CID 44511356) has the molecular formula C43H34Cl2N8
and a molecular weight of 733.71 g/mol. Its IUPAC name is 1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole.
Molecular Properties
| Compound Name | 1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole |
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| PubChem CID | 44511356 |
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| Molecular Formula | C43H34Cl2N8 |
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| Molecular Weight | 733.71 g/mol |
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| Exact Mass | 732.23 |
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| IUPAC Name | 1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole |
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| SMILES | Clc1ccc(Cn2cc(Cn3cc(C(c4ccccc4)c4cn(Cc5cn(Cc6ccc(Cl)cc6)nn5)c5ccccc45)c4ccccc43)nn2)cc1 |
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| InChI | InChI=1S/C43H34Cl2N8/c44-33-18-14-30(15-19-33)22-52-26-35(46-48-52)24-50-28-39(37-10-4-6-12-41(37)50)43(32-8-2-1-3-9-32)40-29-51(42-13-7-5-11-38(40)42)25-36-27-53(49-47-36)23-31-16-20-34(45)21-17-31/h1-21,26-29,43H,22-25H2 |
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| InChIKey | LIWIUKYHBCTFOH-UHFFFAOYSA-N |
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| XLogP | 9.46 |
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| TPSA | 71.28 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 53 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 733.71 |
| LogP ≤ 5 | 9.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole?
The IUPAC name of 1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole (CID 44511356) is 1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole.
What is the SMILES notation for 1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole?
The canonical SMILES for 1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole is Clc1ccc(Cn2cc(Cn3cc(C(c4ccccc4)c4cn(Cc5cn(Cc6ccc(Cl)cc6)nn5)c5ccccc45)c4ccccc43)nn2)cc1.
What is the InChIKey of 1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole?
The InChIKey is LIWIUKYHBCTFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34Cl2N8/c44-33-18-14-30(15-19-33)22-52-26-35(46-48-52)24-50-28-39(37-10-4-6-12-41(37)50)43(32-8-2-1-3-9-32)40-29-51(42-13-7-5-11-38(40)42)25-36-27-53(49-47-36)23-31-16-20-34(45)21-17-31/h1-21,26-29,43H,22-25H2.
What are the key properties of 1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole?
1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole has a molecular weight of 733.71 g/mol, XLogP of 9.46, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole is sourced from PubChem (CID 44511356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).