About 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole
6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole (PubChem CID 59326042) has the molecular formula C44H26Cl2N6
and a molecular weight of 709.64 g/mol. Its IUPAC name is 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole.
Molecular Properties
| Compound Name | 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole |
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| PubChem CID | 59326042 |
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| Molecular Formula | C44H26Cl2N6 |
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| Molecular Weight | 709.64 g/mol |
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| Exact Mass | 708.16 |
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| IUPAC Name | 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole |
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| SMILES | Clc1ccc2c(c1)c1ccncc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccc(Cl)cc5c5ccncc54)cc3)nc(-c3ccccn3)c2)cc1 |
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| InChI | InChI=1S/C44H26Cl2N6/c45-30-8-14-41-36(23-30)34-16-19-47-25-43(34)51(41)32-10-4-27(5-11-32)29-21-39(50-40(22-29)38-3-1-2-18-49-38)28-6-12-33(13-7-28)52-42-15-9-31(46)24-37(42)35-17-20-48-26-44(35)52/h1-26H |
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| InChIKey | DGCDHJFRCSUUKF-UHFFFAOYSA-N |
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| XLogP | 11.77 |
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| TPSA | 61.42 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 52 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 709.64 |
| LogP ≤ 5 | 11.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole?
The IUPAC name of 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole (CID 59326042) is 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole is Clc1ccc2c(c1)c1ccncc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccc(Cl)cc5c5ccncc54)cc3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole?
The InChIKey is DGCDHJFRCSUUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26Cl2N6/c45-30-8-14-41-36(23-30)34-16-19-47-25-43(34)51(41)32-10-4-27(5-11-32)29-21-39(50-40(22-29)38-3-1-2-18-49-38)28-6-12-33(13-7-28)52-42-15-9-31(46)24-37(42)35-17-20-48-26-44(35)52/h1-26H.
What are the key properties of 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole?
6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole has a molecular weight of 709.64 g/mol, XLogP of 11.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 59326042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).