About N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine
N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine (PubChem CID 90161020) has the molecular formula C69H50N4O
and a molecular weight of 951.19 g/mol. Its IUPAC name is N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine.
Molecular Properties
| Compound Name | N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine |
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| PubChem CID | 90161020 |
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| Molecular Formula | C69H50N4O |
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| Molecular Weight | 951.19 g/mol |
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| Exact Mass | 950.40 |
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| IUPAC Name | N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine |
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| SMILES | CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)ccc3n4-c3ccccc3)cc21 |
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| InChI | InChI=1S/C69H50N4O/c1-69(2)59-27-15-16-28-63(59)72(52-23-11-5-12-24-52)64-40-34-50(44-60(64)69)49-33-39-61-57(43-49)58-45-55(37-41-62(58)71(61)51-21-9-4-10-22-51)70(54-35-31-48(32-36-54)47-19-7-3-8-20-47)56-38-42-66-68(46-56)74-67-30-18-17-29-65(67)73(66)53-25-13-6-14-26-53/h3-46H,1-2H3 |
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| InChIKey | FMCYOTVGVQNQER-UHFFFAOYSA-N |
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| XLogP | 19.27 |
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| TPSA | 23.88 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 74 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 951.19 |
| LogP ≤ 5 | 19.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine?
The IUPAC name of N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine (CID 90161020) is N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine.
What is the SMILES notation for N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine?
The canonical SMILES for N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)ccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine?
The InChIKey is FMCYOTVGVQNQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N4O/c1-69(2)59-27-15-16-28-63(59)72(52-23-11-5-12-24-52)64-40-34-50(44-60(64)69)49-33-39-61-57(43-49)58-45-55(37-41-62(58)71(61)51-21-9-4-10-22-51)70(54-35-31-48(32-36-54)47-19-7-3-8-20-47)56-38-42-66-68(46-56)74-67-30-18-17-29-65(67)73(66)53-25-13-6-14-26-53/h3-46H,1-2H3.
What are the key properties of N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine?
N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine has a molecular weight of 951.19 g/mol, XLogP of 19.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine is sourced from PubChem (CID 90161020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).