About 2-bromo-10-[5-(2-bromoindolo[3,2-b]quinolin-10-yl)pentyl]indolo[3,2-b]quinoline
2-bromo-10-[5-(2-bromoindolo[3,2-b]quinolin-10-yl)pentyl]indolo[3,2-b]quinoline (PubChem CID 58985815) has the molecular formula C35H26Br2N4
and a molecular weight of 662.43 g/mol. Its IUPAC name is 2-bromo-10-[5-(2-bromoindolo[3,2-b]quinolin-10-yl)pentyl]indolo[3,2-b]quinoline.
Molecular Properties
| Compound Name | 2-bromo-10-[5-(2-bromoindolo[3,2-b]quinolin-10-yl)pentyl]indolo[3,2-b]quinoline |
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| PubChem CID | 58985815 |
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| Molecular Formula | C35H26Br2N4 |
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| Molecular Weight | 662.43 g/mol |
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| Exact Mass | 660.05 |
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| IUPAC Name | 2-bromo-10-[5-(2-bromoindolo[3,2-b]quinolin-10-yl)pentyl]indolo[3,2-b]quinoline |
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| SMILES | Brc1ccc2nc3c4ccccc4n(CCCCCn4c5ccccc5c5nc6ccc(Br)cc6cc54)c3cc2c1 |
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| InChI | InChI=1S/C35H26Br2N4/c36-24-12-14-28-22(18-24)20-32-34(38-28)26-8-2-4-10-30(26)40(32)16-6-1-7-17-41-31-11-5-3-9-27(31)35-33(41)21-23-19-25(37)13-15-29(23)39-35/h2-5,8-15,18-21H,1,6-7,16-17H2 |
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| InChIKey | FPMWGQXBBGFGCG-UHFFFAOYSA-N |
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| XLogP | 10.39 |
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| TPSA | 35.64 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 662.43 |
| LogP ≤ 5 | 10.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Analyze 2-bromo-10-[5-(2-bromoindolo[3,2-b]quinolin-10-yl)pentyl]indolo[3,2-b]quinoline with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-bromo-10-[5-(2-bromoindolo[3,2-b]quinolin-10-yl)pentyl]indolo[3,2-b]quinoline?
The IUPAC name of 2-bromo-10-[5-(2-bromoindolo[3,2-b]quinolin-10-yl)pentyl]indolo[3,2-b]quinoline (CID 58985815) is 2-bromo-10-[5-(2-bromoindolo[3,2-b]quinolin-10-yl)pentyl]indolo[3,2-b]quinoline.
What is the SMILES notation for 2-bromo-10-[5-(2-bromoindolo[3,2-b]quinolin-10-yl)pentyl]indolo[3,2-b]quinoline?
The canonical SMILES for 2-bromo-10-[5-(2-bromoindolo[3,2-b]quinolin-10-yl)pentyl]indolo[3,2-b]quinoline is Brc1ccc2nc3c4ccccc4n(CCCCCn4c5ccccc5c5nc6ccc(Br)cc6cc54)c3cc2c1.
What is the InChIKey of 2-bromo-10-[5-(2-bromoindolo[3,2-b]quinolin-10-yl)pentyl]indolo[3,2-b]quinoline?
The InChIKey is FPMWGQXBBGFGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26Br2N4/c36-24-12-14-28-22(18-24)20-32-34(38-28)26-8-2-4-10-30(26)40(32)16-6-1-7-17-41-31-11-5-3-9-27(31)35-33(41)21-23-19-25(37)13-15-29(23)39-35/h2-5,8-15,18-21H,1,6-7,16-17H2.
What are the key properties of 2-bromo-10-[5-(2-bromoindolo[3,2-b]quinolin-10-yl)pentyl]indolo[3,2-b]quinoline?
2-bromo-10-[5-(2-bromoindolo[3,2-b]quinolin-10-yl)pentyl]indolo[3,2-b]quinoline has a molecular weight of 662.43 g/mol, XLogP of 10.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-10-[5-(2-bromoindolo[3,2-b]quinolin-10-yl)pentyl]indolo[3,2-b]quinoline is sourced from PubChem (CID 58985815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).