About 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole
3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole (PubChem CID 58059158) has the molecular formula C104H60N6O2S2
and a molecular weight of 1489.80 g/mol. Its IUPAC name is 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole.
Molecular Properties
| Compound Name | 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole |
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| PubChem CID | 58059158 |
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| Molecular Formula | C104H60N6O2S2 |
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| Molecular Weight | 1489.80 g/mol |
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| Exact Mass | 1488.42 |
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| IUPAC Name | 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole |
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| SMILES | c1cc(-c2cccc(-c3ccc(-c4ccc(-c5cccc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7cncnc7)c6)c5)c5oc6ccc(-c7ccc8sc9ccccc9c8c7)cc6c45)c4c3oc3ccc(-c5ccc6sc7ccccc7c6c5)cc34)c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cncnc2)c1 |
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| InChI | InChI=1S/C104H60N6O2S2/c1-5-25-91-79(21-1)85-49-67(29-39-93(85)109(91)75-55-105-59-106-56-75)63-15-9-13-61(45-63)65-17-11-19-73(47-65)77-35-37-83(101-89-53-69(31-41-95(89)111-103(77)101)71-33-43-99-87(51-71)81-23-3-7-27-97(81)113-99)84-38-36-78(104-102(84)90-54-70(32-42-96(90)112-104)72-34-44-100-88(52-72)82-24-4-8-28-98(82)114-100)74-20-12-18-66(48-74)62-14-10-16-64(46-62)68-30-40-94-86(50-68)80-22-2-6-26-92(80)110(94)76-57-107-60-108-58-76/h1-60H |
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| InChIKey | IPACVQWCYWNNKW-UHFFFAOYSA-N |
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| XLogP | 29.00 |
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| TPSA | 87.70 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 114 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1489.80 |
| LogP ≤ 5 | 29.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole?
The IUPAC name of 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole (CID 58059158) is 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole.
What is the SMILES notation for 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole?
The canonical SMILES for 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole is c1cc(-c2cccc(-c3ccc(-c4ccc(-c5cccc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7cncnc7)c6)c5)c5oc6ccc(-c7ccc8sc9ccccc9c8c7)cc6c45)c4c3oc3ccc(-c5ccc6sc7ccccc7c6c5)cc34)c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cncnc2)c1.
What is the InChIKey of 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole?
The InChIKey is IPACVQWCYWNNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H60N6O2S2/c1-5-25-91-79(21-1)85-49-67(29-39-93(85)109(91)75-55-105-59-106-56-75)63-15-9-13-61(45-63)65-17-11-19-73(47-65)77-35-37-83(101-89-53-69(31-41-95(89)111-103(77)101)71-33-43-99-87(51-71)81-23-3-7-27-97(81)113-99)84-38-36-78(104-102(84)90-54-70(32-42-96(90)112-104)72-34-44-100-88(52-72)82-24-4-8-28-98(82)114-100)74-20-12-18-66(48-74)62-14-10-16-64(46-62)68-30-40-94-86(50-68)80-22-2-6-26-92(80)110(94)76-57-107-60-108-58-76/h1-60H.
What are the key properties of 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole?
3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole has a molecular weight of 1489.80 g/mol, XLogP of 29.00, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[8-dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole is sourced from PubChem (CID 58059158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).