About 2-[2-[[7-(6-benzyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]methyl]phenyl]-7-[6-phenoxy-2-(6-phenoxy-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazole
2-[2-[[7-(6-benzyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]methyl]phenyl]-7-[6-phenoxy-2-(6-phenoxy-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazole (PubChem CID 137420925) has the molecular formula C122H80N6O2
and a molecular weight of 1662.02 g/mol. Its IUPAC name is 2-[2-[[7-(6-benzyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]methyl]phenyl]-7-[6-phenoxy-2-(6-phenoxy-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazole.
Molecular Properties
| Compound Name | 2-[2-[[7-(6-benzyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]methyl]phenyl]-7-[6-phenoxy-2-(6-phenoxy-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazole |
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| PubChem CID | 137420925 |
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| Molecular Formula | C122H80N6O2 |
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| Molecular Weight | 1662.02 g/mol |
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| Exact Mass | 1660.63 |
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| IUPAC Name | 2-[2-[[7-(6-benzyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]methyl]phenyl]-7-[6-phenoxy-2-(6-phenoxy-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazole |
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| SMILES | c1ccc(Cc2ccc3c(c2)c2ccc(-c4ccc5c6cc(Cc7ccccc7-c7ccc8c9ccc(-n%10c%11ccc(Oc%12ccccc%12)cc%11c%11ccc(-c%12ccc%13c%14cc(Oc%15ccccc%15)ccc%14n(-c%14ccccc%14)c%13c%12)cc%11%10)cc9n(-c9ccccc9)c8c7)ccc6n(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4)cc2n3-c2ccccc2)cc1 |
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| InChI | InChI=1S/C122H80N6O2/c1-8-26-79(27-9-1)66-80-44-62-112-107(68-80)103-55-46-82(70-116(103)124(112)89-31-12-3-13-32-89)84-47-56-104-108-69-81(45-63-113(108)127(118(104)72-84)92-51-60-101-99-42-24-25-43-111(99)123(121(101)75-92)88-29-10-2-11-30-88)67-86-28-22-23-41-98(86)87-50-59-100-102-61-52-93(76-122(102)126(120(100)74-87)91-35-16-5-17-36-91)128-115-65-54-97(130-95-39-20-7-21-40-95)78-110(115)106-58-49-85(73-119(106)128)83-48-57-105-109-77-96(129-94-37-18-6-19-38-94)53-64-114(109)125(117(105)71-83)90-33-14-4-15-34-90/h1-65,68-78H,66-67H2 |
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| InChIKey | QNSXOOODUYXIHD-UHFFFAOYSA-N |
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| XLogP | 32.04 |
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| TPSA | 48.04 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 17 |
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| Heavy Atoms | 130 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1662.02 |
| LogP ≤ 5 | 32.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 2-[2-[[7-(6-benzyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]methyl]phenyl]-7-[6-phenoxy-2-(6-phenoxy-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[2-[[7-(6-benzyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]methyl]phenyl]-7-[6-phenoxy-2-(6-phenoxy-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazole?
The IUPAC name of 2-[2-[[7-(6-benzyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]methyl]phenyl]-7-[6-phenoxy-2-(6-phenoxy-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazole (CID 137420925) is 2-[2-[[7-(6-benzyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]methyl]phenyl]-7-[6-phenoxy-2-(6-phenoxy-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[2-[[7-(6-benzyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]methyl]phenyl]-7-[6-phenoxy-2-(6-phenoxy-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[2-[[7-(6-benzyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]methyl]phenyl]-7-[6-phenoxy-2-(6-phenoxy-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazole is c1ccc(Cc2ccc3c(c2)c2ccc(-c4ccc5c6cc(Cc7ccccc7-c7ccc8c9ccc(-n%10c%11ccc(Oc%12ccccc%12)cc%11c%11ccc(-c%12ccc%13c%14cc(Oc%15ccccc%15)ccc%14n(-c%14ccccc%14)c%13c%12)cc%11%10)cc9n(-c9ccccc9)c8c7)ccc6n(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4)cc2n3-c2ccccc2)cc1.
What is the InChIKey of 2-[2-[[7-(6-benzyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]methyl]phenyl]-7-[6-phenoxy-2-(6-phenoxy-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazole?
The InChIKey is QNSXOOODUYXIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H80N6O2/c1-8-26-79(27-9-1)66-80-44-62-112-107(68-80)103-55-46-82(70-116(103)124(112)89-31-12-3-13-32-89)84-47-56-104-108-69-81(45-63-113(108)127(118(104)72-84)92-51-60-101-99-42-24-25-43-111(99)123(121(101)75-92)88-29-10-2-11-30-88)67-86-28-22-23-41-98(86)87-50-59-100-102-61-52-93(76-122(102)126(120(100)74-87)91-35-16-5-17-36-91)128-115-65-54-97(130-95-39-20-7-21-40-95)78-110(115)106-58-49-85(73-119(106)128)83-48-57-105-109-77-96(129-94-37-18-6-19-38-94)53-64-114(109)125(117(105)71-83)90-33-14-4-15-34-90/h1-65,68-78H,66-67H2.
What are the key properties of 2-[2-[[7-(6-benzyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]methyl]phenyl]-7-[6-phenoxy-2-(6-phenoxy-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazole?
2-[2-[[7-(6-benzyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]methyl]phenyl]-7-[6-phenoxy-2-(6-phenoxy-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazole has a molecular weight of 1662.02 g/mol, XLogP of 32.04, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[7-(6-benzyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]methyl]phenyl]-7-[6-phenoxy-2-(6-phenoxy-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 137420925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).