About 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-naphthalen-1-ylphenyl)carbazole
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-naphthalen-1-ylphenyl)carbazole (PubChem CID 129225808) has the molecular formula C67H46N2
and a molecular weight of 879.12 g/mol. Its IUPAC name is 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-naphthalen-1-ylphenyl)carbazole.
Molecular Properties
| Compound Name | 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-naphthalen-1-ylphenyl)carbazole |
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| PubChem CID | 129225808 |
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| Molecular Formula | C67H46N2 |
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| Molecular Weight | 879.12 g/mol |
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| Exact Mass | 878.37 |
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| IUPAC Name | 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-naphthalen-1-ylphenyl)carbazole |
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| SMILES | CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5cc(-c6ccccc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc8ccccc78)cc6)c5)ccc43)cc21 |
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| InChI | InChI=1S/C67H46N2/c1-67(2)61-24-11-8-20-55(61)56-34-33-52(42-62(56)67)69-64-26-13-10-22-58(64)60-41-47(30-36-66(60)69)50-38-48(43-15-4-3-5-16-43)37-49(39-50)46-29-35-65-59(40-46)57-21-9-12-25-63(57)68(65)51-31-27-45(28-32-51)54-23-14-18-44-17-6-7-19-53(44)54/h3-42H,1-2H3 |
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| InChIKey | SXBJVGPWGRWTKR-UHFFFAOYSA-N |
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| XLogP | 18.01 |
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| TPSA | 9.86 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 69 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 879.12 |
| LogP ≤ 5 | 18.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-naphthalen-1-ylphenyl)carbazole?
The IUPAC name of 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-naphthalen-1-ylphenyl)carbazole (CID 129225808) is 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-naphthalen-1-ylphenyl)carbazole.
What is the SMILES notation for 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-naphthalen-1-ylphenyl)carbazole?
The canonical SMILES for 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-naphthalen-1-ylphenyl)carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5cc(-c6ccccc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc8ccccc78)cc6)c5)ccc43)cc21.
What is the InChIKey of 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-naphthalen-1-ylphenyl)carbazole?
The InChIKey is SXBJVGPWGRWTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2/c1-67(2)61-24-11-8-20-55(61)56-34-33-52(42-62(56)67)69-64-26-13-10-22-58(64)60-41-47(30-36-66(60)69)50-38-48(43-15-4-3-5-16-43)37-49(39-50)46-29-35-65-59(40-46)57-21-9-12-25-63(57)68(65)51-31-27-45(28-32-51)54-23-14-18-44-17-6-7-19-53(44)54/h3-42H,1-2H3.
What are the key properties of 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-naphthalen-1-ylphenyl)carbazole?
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-naphthalen-1-ylphenyl)carbazole has a molecular weight of 879.12 g/mol, XLogP of 18.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-naphthalen-1-ylphenyl)carbazole is sourced from PubChem (CID 129225808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).