About 3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5,6-dihydrocarbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5,6-dihydrocarbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 89431249) has the molecular formula C61H41N5
and a molecular weight of 844.03 g/mol. Its IUPAC name is 3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5,6-dihydrocarbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole.
Molecular Properties
| Compound Name | 3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5,6-dihydrocarbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole |
|---|
| PubChem CID | 89431249 |
|---|
| Molecular Formula | C61H41N5 |
|---|
| Molecular Weight | 844.03 g/mol |
|---|
| Exact Mass | 843.34 |
|---|
| IUPAC Name | 3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5,6-dihydrocarbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole |
|---|
| SMILES | C1=Cc2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n2-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)CC1 |
|---|
| InChI | InChI=1S/C61H41N5/c1-3-15-43(16-4-1)63-55-24-12-9-21-49(55)52-39-46(33-36-59(52)63)65-56-25-13-8-20-48(56)51-38-42(30-35-58(51)65)41-29-34-57-50(37-41)47-19-7-11-23-54(47)64(57)45-31-27-40(28-32-45)61-62-53-22-10-14-26-60(53)66(61)44-17-5-2-6-18-44/h1-6,8-18,20-39H,7,19H2 |
|---|
| InChIKey | YDCLEUSFMMZKSO-UHFFFAOYSA-N |
|---|
| XLogP | 15.46 |
|---|
| TPSA | 32.61 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 66 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 844.03 |
| LogP ≤ 5 | 15.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze 3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5,6-dihydrocarbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5,6-dihydrocarbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5,6-dihydrocarbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole (CID 89431249) is 3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5,6-dihydrocarbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5,6-dihydrocarbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5,6-dihydrocarbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole is C1=Cc2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n2-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)CC1.
What is the InChIKey of 3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5,6-dihydrocarbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is YDCLEUSFMMZKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N5/c1-3-15-43(16-4-1)63-55-24-12-9-21-49(55)52-39-46(33-36-59(52)63)65-56-25-13-8-20-48(56)51-38-42(30-35-58(51)65)41-29-34-57-50(37-41)47-19-7-11-23-54(47)64(57)45-31-27-40(28-32-45)61-62-53-22-10-14-26-60(53)66(61)44-17-5-2-6-18-44/h1-6,8-18,20-39H,7,19H2.
What are the key properties of 3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5,6-dihydrocarbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole?
3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5,6-dihydrocarbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 844.03 g/mol, XLogP of 15.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5,6-dihydrocarbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 89431249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).