About 10-[4-[4-[6-[4-(4-phenothiazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenothiazine;10-[4-[4-[6-[4-(4-phenoxazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenoxazine
10-[4-[4-[6-[4-(4-phenothiazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenothiazine;10-[4-[4-[6-[4-(4-phenoxazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenoxazine (PubChem CID 158012360) has the molecular formula C132H86N6O2S2
and a molecular weight of 1852.31 g/mol. Its IUPAC name is 10-[4-[4-[6-[4-(4-phenothiazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenothiazine;10-[4-[4-[6-[4-(4-phenoxazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenoxazine.
Molecular Properties
| Compound Name | 10-[4-[4-[6-[4-(4-phenothiazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenothiazine;10-[4-[4-[6-[4-(4-phenoxazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenoxazine |
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| PubChem CID | 158012360 |
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| Molecular Formula | C132H86N6O2S2 |
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| Molecular Weight | 1852.31 g/mol |
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| Exact Mass | 1850.63 |
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| IUPAC Name | 10-[4-[4-[6-[4-(4-phenothiazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenothiazine;10-[4-[4-[6-[4-(4-phenoxazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenoxazine |
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| SMILES | c1ccc(-n2c3ccc(-c4ccc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)cc4)cc3c3cc(-c4ccc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)cc4)ccc32)cc1.c1ccc(-n2c3ccc(-c4ccc(-c5ccc(N6c7ccccc7Sc7ccccc76)cc5)cc4)cc3c3cc(-c4ccc(-c5ccc(N6c7ccccc7Sc7ccccc76)cc5)cc4)ccc32)cc1 |
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| InChI | InChI=1S/C66H43N3O2.C66H43N3S2/c2*1-2-12-52(13-3-1)67-57-40-34-50(48-26-22-44(23-27-48)46-30-36-53(37-31-46)68-59-14-4-8-18-63(59)70-64-19-9-5-15-60(64)68)42-55(57)56-43-51(35-41-58(56)67)49-28-24-45(25-29-49)47-32-38-54(39-33-47)69-61-16-6-10-20-65(61)71-66-21-11-7-17-62(66)69/h2*1-43H |
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| InChIKey | FFAVODIYTDTSCL-UHFFFAOYSA-N |
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| XLogP | 37.92 |
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| TPSA | 41.28 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 142 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1852.31 |
| LogP ≤ 5 | 37.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 10-[4-[4-[6-[4-(4-phenothiazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenothiazine;10-[4-[4-[6-[4-(4-phenoxazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenoxazine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 10-[4-[4-[6-[4-(4-phenothiazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenothiazine;10-[4-[4-[6-[4-(4-phenoxazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[4-[6-[4-(4-phenothiazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenothiazine;10-[4-[4-[6-[4-(4-phenoxazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenoxazine (CID 158012360) is 10-[4-[4-[6-[4-(4-phenothiazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenothiazine;10-[4-[4-[6-[4-(4-phenoxazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[4-[6-[4-(4-phenothiazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenothiazine;10-[4-[4-[6-[4-(4-phenoxazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[4-[6-[4-(4-phenothiazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenothiazine;10-[4-[4-[6-[4-(4-phenoxazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenoxazine is c1ccc(-n2c3ccc(-c4ccc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)cc4)cc3c3cc(-c4ccc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)cc4)ccc32)cc1.c1ccc(-n2c3ccc(-c4ccc(-c5ccc(N6c7ccccc7Sc7ccccc76)cc5)cc4)cc3c3cc(-c4ccc(-c5ccc(N6c7ccccc7Sc7ccccc76)cc5)cc4)ccc32)cc1.
What is the InChIKey of 10-[4-[4-[6-[4-(4-phenothiazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenothiazine;10-[4-[4-[6-[4-(4-phenoxazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenoxazine?
The InChIKey is FFAVODIYTDTSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3O2.C66H43N3S2/c2*1-2-12-52(13-3-1)67-57-40-34-50(48-26-22-44(23-27-48)46-30-36-53(37-31-46)68-59-14-4-8-18-63(59)70-64-19-9-5-15-60(64)68)42-55(57)56-43-51(35-41-58(56)67)49-28-24-45(25-29-49)47-32-38-54(39-33-47)69-61-16-6-10-20-65(61)71-66-21-11-7-17-62(66)69/h2*1-43H.
What are the key properties of 10-[4-[4-[6-[4-(4-phenothiazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenothiazine;10-[4-[4-[6-[4-(4-phenoxazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenoxazine?
10-[4-[4-[6-[4-(4-phenothiazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenothiazine;10-[4-[4-[6-[4-(4-phenoxazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenoxazine has a molecular weight of 1852.31 g/mol, XLogP of 37.92, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-[6-[4-(4-phenothiazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenothiazine;10-[4-[4-[6-[4-(4-phenoxazin-10-ylphenyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]phenoxazine is sourced from PubChem (CID 158012360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).