About 4-(2-bromo-4-carbazol-9-ylphenyl)-9-[4-[4-[4-(3-chloro-5-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
4-(2-bromo-4-carbazol-9-ylphenyl)-9-[4-[4-[4-(3-chloro-5-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 126592388) has the molecular formula C71H43BrClN5
and a molecular weight of 1081.52 g/mol. Its IUPAC name is 4-(2-bromo-4-carbazol-9-ylphenyl)-9-[4-[4-[4-(3-chloro-5-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.
Molecular Properties
| Compound Name | 4-(2-bromo-4-carbazol-9-ylphenyl)-9-[4-[4-[4-(3-chloro-5-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole |
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| PubChem CID | 126592388 |
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| Molecular Formula | C71H43BrClN5 |
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| Molecular Weight | 1081.52 g/mol |
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| Exact Mass | 1079.24 |
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| IUPAC Name | 4-(2-bromo-4-carbazol-9-ylphenyl)-9-[4-[4-[4-(3-chloro-5-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole |
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| SMILES | Clc1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6c(-c7ccc(-n8c9ccccc9c9ccccc98)cc7Br)cccc65)cc4)cc3)n2)c1 |
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| InChI | InChI=1S/C71H43BrClN5/c72-63-43-55(78-64-21-9-6-17-59(64)60-18-7-10-22-65(60)78)36-38-58(63)61-20-12-24-67-68(61)62-19-8-11-23-66(62)77(67)54-34-31-45(32-35-54)44-25-28-48(29-26-44)70-74-69(47-14-2-1-3-15-47)75-71(76-70)52-40-51(41-53(73)42-52)49-33-37-57-50(39-49)30-27-46-13-4-5-16-56(46)57/h1-43H |
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| InChIKey | LKCUMOQPAGWDDL-UHFFFAOYSA-N |
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| XLogP | 19.79 |
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| TPSA | 48.53 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 78 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1081.52 |
| LogP ≤ 5 | 19.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Analyze 4-(2-bromo-4-carbazol-9-ylphenyl)-9-[4-[4-[4-(3-chloro-5-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-(2-bromo-4-carbazol-9-ylphenyl)-9-[4-[4-[4-(3-chloro-5-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The IUPAC name of 4-(2-bromo-4-carbazol-9-ylphenyl)-9-[4-[4-[4-(3-chloro-5-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 126592388) is 4-(2-bromo-4-carbazol-9-ylphenyl)-9-[4-[4-[4-(3-chloro-5-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 4-(2-bromo-4-carbazol-9-ylphenyl)-9-[4-[4-[4-(3-chloro-5-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 4-(2-bromo-4-carbazol-9-ylphenyl)-9-[4-[4-[4-(3-chloro-5-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is Clc1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6c(-c7ccc(-n8c9ccccc9c9ccccc98)cc7Br)cccc65)cc4)cc3)n2)c1.
What is the InChIKey of 4-(2-bromo-4-carbazol-9-ylphenyl)-9-[4-[4-[4-(3-chloro-5-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The InChIKey is LKCUMOQPAGWDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H43BrClN5/c72-63-43-55(78-64-21-9-6-17-59(64)60-18-7-10-22-65(60)78)36-38-58(63)61-20-12-24-67-68(61)62-19-8-11-23-66(62)77(67)54-34-31-45(32-35-54)44-25-28-48(29-26-44)70-74-69(47-14-2-1-3-15-47)75-71(76-70)52-40-51(41-53(73)42-52)49-33-37-57-50(39-49)30-27-46-13-4-5-16-56(46)57/h1-43H.
What are the key properties of 4-(2-bromo-4-carbazol-9-ylphenyl)-9-[4-[4-[4-(3-chloro-5-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
4-(2-bromo-4-carbazol-9-ylphenyl)-9-[4-[4-[4-(3-chloro-5-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 1081.52 g/mol, XLogP of 19.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-carbazol-9-ylphenyl)-9-[4-[4-[4-(3-chloro-5-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 126592388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).