About 5-[4-[12-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[2,3-a]carbazol-11-yl]phenyl]phenanthridin-6-one
5-[4-[12-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[2,3-a]carbazol-11-yl]phenyl]phenanthridin-6-one (PubChem CID 90379870) has the molecular formula C56H34N4O2
and a molecular weight of 794.91 g/mol. Its IUPAC name is 5-[4-[12-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[2,3-a]carbazol-11-yl]phenyl]phenanthridin-6-one.
Molecular Properties
| Compound Name | 5-[4-[12-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[2,3-a]carbazol-11-yl]phenyl]phenanthridin-6-one |
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| PubChem CID | 90379870 |
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| Molecular Formula | C56H34N4O2 |
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| Molecular Weight | 794.91 g/mol |
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| Exact Mass | 794.27 |
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| IUPAC Name | 5-[4-[12-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[2,3-a]carbazol-11-yl]phenyl]phenanthridin-6-one |
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| SMILES | O=c1c2ccccc2c2ccccc2n1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-n6c(=O)c7ccccc7c7ccccc76)cc5)c4c32)cc1 |
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| InChI | InChI=1S/C56H34N4O2/c61-55-47-19-3-1-13-39(47)41-15-5-11-23-51(41)59(55)37-29-25-35(26-30-37)57-49-21-9-7-17-43(49)45-33-34-46-44-18-8-10-22-50(44)58(54(46)53(45)57)36-27-31-38(32-28-36)60-52-24-12-6-16-42(52)40-14-2-4-20-48(40)56(60)62/h1-34H |
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| InChIKey | QWBJNGMMUXDOME-UHFFFAOYSA-N |
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| XLogP | 12.80 |
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| TPSA | 53.86 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 62 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 794.91 |
| LogP ≤ 5 | 12.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-[4-[12-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[2,3-a]carbazol-11-yl]phenyl]phenanthridin-6-one?
The IUPAC name of 5-[4-[12-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[2,3-a]carbazol-11-yl]phenyl]phenanthridin-6-one (CID 90379870) is 5-[4-[12-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[2,3-a]carbazol-11-yl]phenyl]phenanthridin-6-one.
What is the SMILES notation for 5-[4-[12-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[2,3-a]carbazol-11-yl]phenyl]phenanthridin-6-one?
The canonical SMILES for 5-[4-[12-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[2,3-a]carbazol-11-yl]phenyl]phenanthridin-6-one is O=c1c2ccccc2c2ccccc2n1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-n6c(=O)c7ccccc7c7ccccc76)cc5)c4c32)cc1.
What is the InChIKey of 5-[4-[12-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[2,3-a]carbazol-11-yl]phenyl]phenanthridin-6-one?
The InChIKey is QWBJNGMMUXDOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O2/c61-55-47-19-3-1-13-39(47)41-15-5-11-23-51(41)59(55)37-29-25-35(26-30-37)57-49-21-9-7-17-43(49)45-33-34-46-44-18-8-10-22-50(44)58(54(46)53(45)57)36-27-31-38(32-28-36)60-52-24-12-6-16-42(52)40-14-2-4-20-48(40)56(60)62/h1-34H.
What are the key properties of 5-[4-[12-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[2,3-a]carbazol-11-yl]phenyl]phenanthridin-6-one?
5-[4-[12-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[2,3-a]carbazol-11-yl]phenyl]phenanthridin-6-one has a molecular weight of 794.91 g/mol, XLogP of 12.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[12-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[2,3-a]carbazol-11-yl]phenyl]phenanthridin-6-one is sourced from PubChem (CID 90379870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).