About 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine
10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine (PubChem CID 139311986) has the molecular formula C61H40N4O2
and a molecular weight of 861.02 g/mol. Its IUPAC name is 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine.
Molecular Properties
| Compound Name | 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine |
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| PubChem CID | 139311986 |
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| Molecular Formula | C61H40N4O2 |
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| Molecular Weight | 861.02 g/mol |
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| Exact Mass | 860.32 |
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| IUPAC Name | 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine |
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| SMILES | Cn1c2c(-c3cccc(N4c5ccccc5Oc5ccccc54)c3)cccc2c2c1c(-c1cccc(N3c4ccccc4Oc4ccccc43)c1)cc1c3ccccc3n(-c3ccccc3)c12 |
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| InChI | InChI=1S/C61H40N4O2/c1-62-59-44(39-18-15-22-42(36-39)63-50-28-7-11-32-54(50)66-55-33-12-8-29-51(55)63)25-17-26-46(59)58-60(62)47(38-48-45-24-5-6-27-49(45)65(61(48)58)41-20-3-2-4-21-41)40-19-16-23-43(37-40)64-52-30-9-13-34-56(52)67-57-35-14-10-31-53(57)64/h2-38H,1H3 |
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| InChIKey | NSQSIDCDNRACBY-UHFFFAOYSA-N |
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| XLogP | 16.91 |
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| TPSA | 34.80 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 67 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 861.02 |
| LogP ≤ 5 | 16.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine?
The IUPAC name of 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine (CID 139311986) is 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine is Cn1c2c(-c3cccc(N4c5ccccc5Oc5ccccc54)c3)cccc2c2c1c(-c1cccc(N3c4ccccc4Oc4ccccc43)c1)cc1c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine?
The InChIKey is NSQSIDCDNRACBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4O2/c1-62-59-44(39-18-15-22-42(36-39)63-50-28-7-11-32-54(50)66-55-33-12-8-29-51(55)63)25-17-26-46(59)58-60(62)47(38-48-45-24-5-6-27-49(45)65(61(48)58)41-20-3-2-4-21-41)40-19-16-23-43(37-40)64-52-30-9-13-34-56(52)67-57-35-14-10-31-53(57)64/h2-38H,1H3.
What are the key properties of 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine?
10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine has a molecular weight of 861.02 g/mol, XLogP of 16.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-12-phenylindolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine is sourced from PubChem (CID 139311986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).