About 4-[bis(4-aminophenyl)-(4-iodophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-iodophenyl)methyl]-4-bromobenzene;4-[bis(4-hydroxyphenyl)-(4-iodophenyl)methyl]phenol;4-[tris(4-aminophenyl)methyl]phenol
4-[bis(4-aminophenyl)-(4-iodophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-iodophenyl)methyl]-4-bromobenzene;4-[bis(4-hydroxyphenyl)-(4-iodophenyl)methyl]phenol;4-[tris(4-aminophenyl)methyl]phenol (PubChem CID 157353054) has the molecular formula C100H80Br3I3N6O4
and a molecular weight of 2050.20 g/mol. Its IUPAC name is 4-[bis(4-aminophenyl)-(4-iodophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-iodophenyl)methyl]-4-bromobenzene;4-[bis(4-hydroxyphenyl)-(4-iodophenyl)methyl]phenol;4-[tris(4-aminophenyl)methyl]phenol.
Molecular Properties
| Compound Name | 4-[bis(4-aminophenyl)-(4-iodophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-iodophenyl)methyl]-4-bromobenzene;4-[bis(4-hydroxyphenyl)-(4-iodophenyl)methyl]phenol;4-[tris(4-aminophenyl)methyl]phenol |
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| PubChem CID | 157353054 |
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| Molecular Formula | C100H80Br3I3N6O4 |
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| Molecular Weight | 2050.20 g/mol |
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| Exact Mass | 2046.09 |
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| IUPAC Name | 4-[bis(4-aminophenyl)-(4-iodophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-iodophenyl)methyl]-4-bromobenzene;4-[bis(4-hydroxyphenyl)-(4-iodophenyl)methyl]phenol;4-[tris(4-aminophenyl)methyl]phenol |
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| SMILES | Brc1ccc(C(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(I)cc2)cc1.Nc1ccc(C(c2ccc(N)cc2)(c2ccc(N)cc2)c2ccc(I)cc2)cc1.Nc1ccc(C(c2ccc(N)cc2)(c2ccc(N)cc2)c2ccc(O)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccc(I)cc2)cc1 |
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| InChI | InChI=1S/C25H16Br3I.C25H22IN3.C25H19IO3.C25H23N3O/c4*26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H;1-16H,27-29H2;1-16,27-29H;1-16,29H,26-28H2 |
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| InChIKey | BHTJZTDYSGNPIO-UHFFFAOYSA-N |
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| XLogP | 24.69 |
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| TPSA | 237.04 Ų |
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| H-Bond Donors | 10 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 16 |
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| Heavy Atoms | 116 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 2050.20 |
| LogP ≤ 5 | 24.69 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Analyze 4-[bis(4-aminophenyl)-(4-iodophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-iodophenyl)methyl]-4-bromobenzene;4-[bis(4-hydroxyphenyl)-(4-iodophenyl)methyl]phenol;4-[tris(4-aminophenyl)methyl]phenol with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-[bis(4-aminophenyl)-(4-iodophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-iodophenyl)methyl]-4-bromobenzene;4-[bis(4-hydroxyphenyl)-(4-iodophenyl)methyl]phenol;4-[tris(4-aminophenyl)methyl]phenol?
The IUPAC name of 4-[bis(4-aminophenyl)-(4-iodophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-iodophenyl)methyl]-4-bromobenzene;4-[bis(4-hydroxyphenyl)-(4-iodophenyl)methyl]phenol;4-[tris(4-aminophenyl)methyl]phenol (CID 157353054) is 4-[bis(4-aminophenyl)-(4-iodophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-iodophenyl)methyl]-4-bromobenzene;4-[bis(4-hydroxyphenyl)-(4-iodophenyl)methyl]phenol;4-[tris(4-aminophenyl)methyl]phenol.
What is the SMILES notation for 4-[bis(4-aminophenyl)-(4-iodophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-iodophenyl)methyl]-4-bromobenzene;4-[bis(4-hydroxyphenyl)-(4-iodophenyl)methyl]phenol;4-[tris(4-aminophenyl)methyl]phenol?
The canonical SMILES for 4-[bis(4-aminophenyl)-(4-iodophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-iodophenyl)methyl]-4-bromobenzene;4-[bis(4-hydroxyphenyl)-(4-iodophenyl)methyl]phenol;4-[tris(4-aminophenyl)methyl]phenol is Brc1ccc(C(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(I)cc2)cc1.Nc1ccc(C(c2ccc(N)cc2)(c2ccc(N)cc2)c2ccc(I)cc2)cc1.Nc1ccc(C(c2ccc(N)cc2)(c2ccc(N)cc2)c2ccc(O)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccc(I)cc2)cc1.
What is the InChIKey of 4-[bis(4-aminophenyl)-(4-iodophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-iodophenyl)methyl]-4-bromobenzene;4-[bis(4-hydroxyphenyl)-(4-iodophenyl)methyl]phenol;4-[tris(4-aminophenyl)methyl]phenol?
The InChIKey is BHTJZTDYSGNPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Br3I.C25H22IN3.C25H19IO3.C25H23N3O/c4*26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H;1-16H,27-29H2;1-16,27-29H;1-16,29H,26-28H2.
What are the key properties of 4-[bis(4-aminophenyl)-(4-iodophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-iodophenyl)methyl]-4-bromobenzene;4-[bis(4-hydroxyphenyl)-(4-iodophenyl)methyl]phenol;4-[tris(4-aminophenyl)methyl]phenol?
4-[bis(4-aminophenyl)-(4-iodophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-iodophenyl)methyl]-4-bromobenzene;4-[bis(4-hydroxyphenyl)-(4-iodophenyl)methyl]phenol;4-[tris(4-aminophenyl)methyl]phenol has a molecular weight of 2050.20 g/mol, XLogP of 24.69, 16 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-aminophenyl)-(4-iodophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-iodophenyl)methyl]-4-bromobenzene;4-[bis(4-hydroxyphenyl)-(4-iodophenyl)methyl]phenol;4-[tris(4-aminophenyl)methyl]phenol is sourced from PubChem (CID 157353054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).