About 9-[2-[3-[4-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole
9-[2-[3-[4-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole (PubChem CID 122433719) has the molecular formula C50H38N4O4
and a molecular weight of 758.88 g/mol. Its IUPAC name is 9-[2-[3-[4-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole.
Molecular Properties
| Compound Name | 9-[2-[3-[4-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole |
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| PubChem CID | 122433719 |
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| Molecular Formula | C50H38N4O4 |
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| Molecular Weight | 758.88 g/mol |
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| Exact Mass | 758.29 |
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| IUPAC Name | 9-[2-[3-[4-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole |
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| SMILES | COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccccc1-c1ccncc1-c1cnccc1-c1ccccc1-n1c2ccc(OC)cc2c2cc(OC)ccc21 |
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| InChI | InChI=1S/C50H38N4O4/c1-55-31-13-17-47-39(25-31)40-26-32(56-2)14-18-48(40)53(47)45-11-7-5-9-37(45)35-21-23-51-29-43(35)44-30-52-24-22-36(44)38-10-6-8-12-46(38)54-49-19-15-33(57-3)27-41(49)42-28-34(58-4)16-20-50(42)54/h5-30H,1-4H3 |
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| InChIKey | CQBZUZONIYWNHG-UHFFFAOYSA-N |
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| XLogP | 11.71 |
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| TPSA | 72.56 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 58 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 758.88 |
| LogP ≤ 5 | 11.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 9-[2-[3-[4-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole?
The IUPAC name of 9-[2-[3-[4-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole (CID 122433719) is 9-[2-[3-[4-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole.
What is the SMILES notation for 9-[2-[3-[4-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole?
The canonical SMILES for 9-[2-[3-[4-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccccc1-c1ccncc1-c1cnccc1-c1ccccc1-n1c2ccc(OC)cc2c2cc(OC)ccc21.
What is the InChIKey of 9-[2-[3-[4-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole?
The InChIKey is CQBZUZONIYWNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N4O4/c1-55-31-13-17-47-39(25-31)40-26-32(56-2)14-18-48(40)53(47)45-11-7-5-9-37(45)35-21-23-51-29-43(35)44-30-52-24-22-36(44)38-10-6-8-12-46(38)54-49-19-15-33(57-3)27-41(49)42-28-34(58-4)16-20-50(42)54/h5-30H,1-4H3.
What are the key properties of 9-[2-[3-[4-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole?
9-[2-[3-[4-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole has a molecular weight of 758.88 g/mol, XLogP of 11.71, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-[4-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole is sourced from PubChem (CID 122433719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).