About 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-(4-phenyl-1,8-naphthyridin-2-yl)-6-[9-phenyl-6-[8-[9-(4-phenylquinolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]carbazol-2-yl]carbazole
3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-(4-phenyl-1,8-naphthyridin-2-yl)-6-[9-phenyl-6-[8-[9-(4-phenylquinolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]carbazol-2-yl]carbazole (PubChem CID 155077330) has the molecular formula C113H67N7O2
and a molecular weight of 1554.83 g/mol. Its IUPAC name is 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-(4-phenyl-1,8-naphthyridin-2-yl)-6-[9-phenyl-6-[8-[9-(4-phenylquinolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]carbazol-2-yl]carbazole.
Molecular Properties
| Compound Name | 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-(4-phenyl-1,8-naphthyridin-2-yl)-6-[9-phenyl-6-[8-[9-(4-phenylquinolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]carbazol-2-yl]carbazole |
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| PubChem CID | 155077330 |
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| Molecular Formula | C113H67N7O2 |
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| Molecular Weight | 1554.83 g/mol |
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| Exact Mass | 1553.54 |
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| IUPAC Name | 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-(4-phenyl-1,8-naphthyridin-2-yl)-6-[9-phenyl-6-[8-[9-(4-phenylquinolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]carbazol-2-yl]carbazole |
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| SMILES | c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8ccc(-c%10ccc%11c(c%10)c%10cc(-c%12ccc%13oc%14cccc(-c%15ccc%16c(c%15)c%15ccccc%15n%16-c%15ccccc%15)c%14c%13c%12)ccc%10n%11-c%10cc(-c%11ccccc%11)c%11cccnc%11n%10)cc8n9-c8ccccc8)c7c6c5)ccc43)nc3ccccc23)cc1 |
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| InChI | InChI=1S/C113H67N7O2/c1-5-22-68(23-6-1)87-66-109(115-96-36-16-13-30-82(87)96)119-98-38-18-15-32-84(98)89-58-70(42-50-101(89)119)73-47-55-105-94(61-73)112-81(34-20-40-108(112)121-105)77-46-54-100-91(64-77)85-49-41-75(65-104(85)118(100)79-28-11-4-12-29-79)72-44-52-103-93(60-72)92-59-71(43-51-102(92)120(103)110-67-88(69-24-7-2-8-25-69)86-35-21-57-114-113(86)116-110)74-48-56-106-95(62-74)111-80(33-19-39-107(111)122-106)76-45-53-99-90(63-76)83-31-14-17-37-97(83)117(99)78-26-9-3-10-27-78/h1-67H |
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| InChIKey | XOYCFYDOIRTHCD-UHFFFAOYSA-N |
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| XLogP | 30.03 |
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| TPSA | 84.67 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 122 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1554.83 |
| LogP ≤ 5 | 30.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-(4-phenyl-1,8-naphthyridin-2-yl)-6-[9-phenyl-6-[8-[9-(4-phenylquinolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]carbazol-2-yl]carbazole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-(4-phenyl-1,8-naphthyridin-2-yl)-6-[9-phenyl-6-[8-[9-(4-phenylquinolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]carbazol-2-yl]carbazole?
The IUPAC name of 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-(4-phenyl-1,8-naphthyridin-2-yl)-6-[9-phenyl-6-[8-[9-(4-phenylquinolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]carbazol-2-yl]carbazole (CID 155077330) is 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-(4-phenyl-1,8-naphthyridin-2-yl)-6-[9-phenyl-6-[8-[9-(4-phenylquinolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]carbazol-2-yl]carbazole.
What is the SMILES notation for 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-(4-phenyl-1,8-naphthyridin-2-yl)-6-[9-phenyl-6-[8-[9-(4-phenylquinolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]carbazol-2-yl]carbazole?
The canonical SMILES for 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-(4-phenyl-1,8-naphthyridin-2-yl)-6-[9-phenyl-6-[8-[9-(4-phenylquinolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]carbazol-2-yl]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8ccc(-c%10ccc%11c(c%10)c%10cc(-c%12ccc%13oc%14cccc(-c%15ccc%16c(c%15)c%15ccccc%15n%16-c%15ccccc%15)c%14c%13c%12)ccc%10n%11-c%10cc(-c%11ccccc%11)c%11cccnc%11n%10)cc8n9-c8ccccc8)c7c6c5)ccc43)nc3ccccc23)cc1.
What is the InChIKey of 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-(4-phenyl-1,8-naphthyridin-2-yl)-6-[9-phenyl-6-[8-[9-(4-phenylquinolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]carbazol-2-yl]carbazole?
The InChIKey is XOYCFYDOIRTHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C113H67N7O2/c1-5-22-68(23-6-1)87-66-109(115-96-36-16-13-30-82(87)96)119-98-38-18-15-32-84(98)89-58-70(42-50-101(89)119)73-47-55-105-94(61-73)112-81(34-20-40-108(112)121-105)77-46-54-100-91(64-77)85-49-41-75(65-104(85)118(100)79-28-11-4-12-29-79)72-44-52-103-93(60-72)92-59-71(43-51-102(92)120(103)110-67-88(69-24-7-2-8-25-69)86-35-21-57-114-113(86)116-110)74-48-56-106-95(62-74)111-80(33-19-39-107(111)122-106)76-45-53-99-90(63-76)83-31-14-17-37-97(83)117(99)78-26-9-3-10-27-78/h1-67H.
What are the key properties of 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-(4-phenyl-1,8-naphthyridin-2-yl)-6-[9-phenyl-6-[8-[9-(4-phenylquinolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]carbazol-2-yl]carbazole?
3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-(4-phenyl-1,8-naphthyridin-2-yl)-6-[9-phenyl-6-[8-[9-(4-phenylquinolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]carbazol-2-yl]carbazole has a molecular weight of 1554.83 g/mol, XLogP of 30.03, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-(4-phenyl-1,8-naphthyridin-2-yl)-6-[9-phenyl-6-[8-[9-(4-phenylquinolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]carbazol-2-yl]carbazole is sourced from PubChem (CID 155077330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).