About 9-[2-[5-[5-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethoxycarbazole
9-[2-[5-[5-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethoxycarbazole (PubChem CID 122433682) has the molecular formula C50H38N4O4
and a molecular weight of 758.88 g/mol. Its IUPAC name is 9-[2-[5-[5-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethoxycarbazole.
Molecular Properties
| Compound Name | 9-[2-[5-[5-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethoxycarbazole |
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| PubChem CID | 122433682 |
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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-[5-[5-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethoxycarbazole |
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| SMILES | COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccccc1-c1cncc(-c2cncc(-c3ccccc3-n3c4ccc(OC)cc4c4cc(OC)ccc43)c2)c1 |
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| InChI | InChI=1S/C50H38N4O4/c1-55-35-13-17-47-41(23-35)42-24-36(56-2)14-18-48(42)53(47)45-11-7-5-9-39(45)33-21-31(27-51-29-33)32-22-34(30-52-28-32)40-10-6-8-12-46(40)54-49-19-15-37(57-3)25-43(49)44-26-38(58-4)16-20-50(44)54/h5-30H,1-4H3 |
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| InChIKey | RGPBXFUZVXXECL-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-[5-[5-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethoxycarbazole?
The IUPAC name of 9-[2-[5-[5-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethoxycarbazole (CID 122433682) is 9-[2-[5-[5-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethoxycarbazole.
What is the SMILES notation for 9-[2-[5-[5-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethoxycarbazole?
The canonical SMILES for 9-[2-[5-[5-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethoxycarbazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccccc1-c1cncc(-c2cncc(-c3ccccc3-n3c4ccc(OC)cc4c4cc(OC)ccc43)c2)c1.
What is the InChIKey of 9-[2-[5-[5-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethoxycarbazole?
The InChIKey is RGPBXFUZVXXECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N4O4/c1-55-35-13-17-47-41(23-35)42-24-36(56-2)14-18-48(42)53(47)45-11-7-5-9-39(45)33-21-31(27-51-29-33)32-22-34(30-52-28-32)40-10-6-8-12-46(40)54-49-19-15-37(57-3)25-43(49)44-26-38(58-4)16-20-50(44)54/h5-30H,1-4H3.
What are the key properties of 9-[2-[5-[5-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethoxycarbazole?
9-[2-[5-[5-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-3-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-[5-[5-[2-(3,6-dimethoxycarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethoxycarbazole is sourced from PubChem (CID 122433682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).