About 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine
9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine (PubChem CID 138505633) has the molecular formula C44H48N4O8
and a molecular weight of 760.89 g/mol. Its IUPAC name is 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine.
Molecular Properties
| Compound Name | 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine |
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| PubChem CID | 138505633 |
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| Molecular Formula | C44H48N4O8 |
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| Molecular Weight | 760.89 g/mol |
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| Exact Mass | 760.35 |
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| IUPAC Name | 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine |
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| SMILES | COCCOCCOCCn1c2ccccc2c2cc(N(c3ccc([N+](=O)[O-])cc3)c3ccc4c(c3)c3ccccc3n4CCOCCOCCOC)ccc21 |
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| InChI | InChI=1S/C44H48N4O8/c1-51-23-25-55-29-27-53-21-19-45-41-9-5-3-7-37(41)39-31-35(15-17-43(39)45)47(33-11-13-34(14-12-33)48(49)50)36-16-18-44-40(32-36)38-8-4-6-10-42(38)46(44)20-22-54-28-30-56-26-24-52-2/h3-18,31-32H,19-30H2,1-2H3 |
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| InChIKey | QKIZNYAQIVNQFF-UHFFFAOYSA-N |
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| XLogP | 8.64 |
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| TPSA | 111.62 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 22 |
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| Heavy Atoms | 56 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 760.89 |
| LogP ≤ 5 | 8.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine?
The IUPAC name of 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine (CID 138505633) is 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine.
What is the SMILES notation for 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine?
The canonical SMILES for 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine is COCCOCCOCCn1c2ccccc2c2cc(N(c3ccc([N+](=O)[O-])cc3)c3ccc4c(c3)c3ccccc3n4CCOCCOCCOC)ccc21.
What is the InChIKey of 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine?
The InChIKey is QKIZNYAQIVNQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48N4O8/c1-51-23-25-55-29-27-53-21-19-45-41-9-5-3-7-37(41)39-31-35(15-17-43(39)45)47(33-11-13-34(14-12-33)48(49)50)36-16-18-44-40(32-36)38-8-4-6-10-42(38)46(44)20-22-54-28-30-56-26-24-52-2/h3-18,31-32H,19-30H2,1-2H3.
What are the key properties of 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine?
9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine has a molecular weight of 760.89 g/mol, XLogP of 8.64, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine is sourced from PubChem (CID 138505633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).