About 9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole
9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole (PubChem CID 59220010) has the molecular formula C62H38N2
and a molecular weight of 811.00 g/mol. Its IUPAC name is 9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole.
Molecular Properties
| Compound Name | 9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole |
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| PubChem CID | 59220010 |
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| Molecular Formula | C62H38N2 |
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| Molecular Weight | 811.00 g/mol |
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| Exact Mass | 810.30 |
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| IUPAC Name | 9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole |
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| SMILES | c1ccc2c(-c3c4cc(-n5c6ccccc6c6ccccc65)ccc4c(-c4cc5ccccc5c5ccccc45)c4cc(-n5c6ccccc6c6ccccc65)ccc34)cccc2c1 |
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| InChI | InChI=1S/C62H38N2/c1-3-19-43-39(16-1)18-15-27-51(43)61-52-34-32-42(64-59-30-13-9-25-49(59)50-26-10-14-31-60(50)64)38-56(52)62(54-36-40-17-2-4-20-44(40)45-21-5-6-22-46(45)54)53-35-33-41(37-55(53)61)63-57-28-11-7-23-47(57)48-24-8-12-29-58(48)63/h1-38H |
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| InChIKey | VQDDPQHFOPLJSD-UHFFFAOYSA-N |
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| XLogP | 16.98 |
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| TPSA | 9.86 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 64 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 811.00 |
| LogP ≤ 5 | 16.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole?
The IUPAC name of 9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole (CID 59220010) is 9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole.
What is the SMILES notation for 9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole?
The canonical SMILES for 9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole is c1ccc2c(-c3c4cc(-n5c6ccccc6c6ccccc65)ccc4c(-c4cc5ccccc5c5ccccc45)c4cc(-n5c6ccccc6c6ccccc65)ccc34)cccc2c1.
What is the InChIKey of 9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole?
The InChIKey is VQDDPQHFOPLJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2/c1-3-19-43-39(16-1)18-15-27-51(43)61-52-34-32-42(64-59-30-13-9-25-49(59)50-26-10-14-31-60(50)64)38-56(52)62(54-36-40-17-2-4-20-44(40)45-21-5-6-22-46(45)54)53-35-33-41(37-55(53)61)63-57-28-11-7-23-47(57)48-24-8-12-29-58(48)63/h1-38H.
What are the key properties of 9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole?
9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole has a molecular weight of 811.00 g/mol, XLogP of 16.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole is sourced from PubChem (CID 59220010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).