About 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine
9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine (PubChem CID 59720588) has the molecular formula C60H43FN2OSi
and a molecular weight of 855.10 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine.
Molecular Properties
| Compound Name | 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine |
|---|
| PubChem CID | 59720588 |
|---|
| Molecular Formula | C60H43FN2OSi |
|---|
| Molecular Weight | 855.10 g/mol |
|---|
| Exact Mass | 854.31 |
|---|
| IUPAC Name | 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine |
|---|
| SMILES | Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc(Oc5ccccc5)cc4)c4ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)ccc32)cc1 |
|---|
| InChI | InChI=1S/C60H43FN2OSi/c61-46-29-33-49(34-30-46)63-59-24-14-13-23-57(59)58-43-50(37-42-60(58)63)62(48-35-38-52(39-36-48)64-51-15-5-1-6-16-51)47-31-25-44(26-32-47)45-27-40-56(41-28-45)65(53-17-7-2-8-18-53,54-19-9-3-10-20-54)55-21-11-4-12-22-55/h1-43H |
|---|
| InChIKey | RGAZWIAPAFCMRK-UHFFFAOYSA-N |
|---|
| XLogP | 13.23 |
|---|
| TPSA | 17.40 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 11 |
|---|
| Heavy Atoms | 65 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 855.10 |
| LogP ≤ 5 | 13.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
|---|
Analyze 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine?
The IUPAC name of 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine (CID 59720588) is 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine.
What is the SMILES notation for 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine?
The canonical SMILES for 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc(Oc5ccccc5)cc4)c4ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)ccc32)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine?
The InChIKey is RGAZWIAPAFCMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43FN2OSi/c61-46-29-33-49(34-30-46)63-59-24-14-13-23-57(59)58-43-50(37-42-60(58)63)62(48-35-38-52(39-36-48)64-51-15-5-1-6-16-51)47-31-25-44(26-32-47)45-27-40-56(41-28-45)65(53-17-7-2-8-18-53,54-19-9-3-10-20-54)55-21-11-4-12-22-55/h1-43H.
What are the key properties of 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine?
9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine has a molecular weight of 855.10 g/mol, XLogP of 13.23, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine is sourced from PubChem (CID 59720588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).