About 3-[2,6-di(propan-2-yl)phenyl]-11-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyimidazo[1,2-f]phenanthridine
3-[2,6-di(propan-2-yl)phenyl]-11-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyimidazo[1,2-f]phenanthridine (PubChem CID 70654313) has the molecular formula C45H38N4O
and a molecular weight of 650.83 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)phenyl]-11-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyimidazo[1,2-f]phenanthridine.
Molecular Properties
| Compound Name | 3-[2,6-di(propan-2-yl)phenyl]-11-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyimidazo[1,2-f]phenanthridine |
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| PubChem CID | 70654313 |
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| Molecular Formula | C45H38N4O |
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| Molecular Weight | 650.83 g/mol |
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| Exact Mass | 650.30 |
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| IUPAC Name | 3-[2,6-di(propan-2-yl)phenyl]-11-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyimidazo[1,2-f]phenanthridine |
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| SMILES | Cc1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n6c(-c7c(C(C)C)cccc7C(C)C)cnc6c5c4)cc32)c1 |
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| InChI | InChI=1S/C45H38N4O/c1-27(2)32-13-10-14-33(28(3)4)44(32)42-26-47-45-38-24-30(17-19-34(38)35-11-6-9-16-40(35)49(42)45)50-31-18-20-37-36-12-7-8-15-39(36)48(41(37)25-31)43-23-29(5)21-22-46-43/h6-28H,1-5H3 |
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| InChIKey | BSGHFSVPFKJCFA-UHFFFAOYSA-N |
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| XLogP | 12.15 |
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| TPSA | 44.35 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 50 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 650.83 |
| LogP ≤ 5 | 12.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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 3-[2,6-di(propan-2-yl)phenyl]-11-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyimidazo[1,2-f]phenanthridine?
The IUPAC name of 3-[2,6-di(propan-2-yl)phenyl]-11-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyimidazo[1,2-f]phenanthridine (CID 70654313) is 3-[2,6-di(propan-2-yl)phenyl]-11-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-[2,6-di(propan-2-yl)phenyl]-11-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyimidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-[2,6-di(propan-2-yl)phenyl]-11-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyimidazo[1,2-f]phenanthridine is Cc1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n6c(-c7c(C(C)C)cccc7C(C)C)cnc6c5c4)cc32)c1.
What is the InChIKey of 3-[2,6-di(propan-2-yl)phenyl]-11-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyimidazo[1,2-f]phenanthridine?
The InChIKey is BSGHFSVPFKJCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38N4O/c1-27(2)32-13-10-14-33(28(3)4)44(32)42-26-47-45-38-24-30(17-19-34(38)35-11-6-9-16-40(35)49(42)45)50-31-18-20-37-36-12-7-8-15-39(36)48(41(37)25-31)43-23-29(5)21-22-46-43/h6-28H,1-5H3.
What are the key properties of 3-[2,6-di(propan-2-yl)phenyl]-11-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyimidazo[1,2-f]phenanthridine?
3-[2,6-di(propan-2-yl)phenyl]-11-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyimidazo[1,2-f]phenanthridine has a molecular weight of 650.83 g/mol, XLogP of 12.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-di(propan-2-yl)phenyl]-11-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 70654313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).