About 4-[bis(4-aminophenyl)-(4-chlorophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-chlorophenyl)methyl]-4-bromobenzene;4-[(4-chlorophenyl)-bis(4-hydroxyphenyl)methyl]phenol;1-chloro-4-[tris(4-iodophenyl)methyl]benzene
4-[bis(4-aminophenyl)-(4-chlorophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-chlorophenyl)methyl]-4-bromobenzene;4-[(4-chlorophenyl)-bis(4-hydroxyphenyl)methyl]phenol;1-chloro-4-[tris(4-iodophenyl)methyl]benzene (PubChem CID 159702219) has the molecular formula C100H73Br3Cl4I3N3O3
and a molecular weight of 2126.94 g/mol. Its IUPAC name is 4-[bis(4-aminophenyl)-(4-chlorophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-chlorophenyl)methyl]-4-bromobenzene;4-[(4-chlorophenyl)-bis(4-hydroxyphenyl)methyl]phenol;1-chloro-4-[tris(4-iodophenyl)methyl]benzene.
Molecular Properties
| Compound Name | 4-[bis(4-aminophenyl)-(4-chlorophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-chlorophenyl)methyl]-4-bromobenzene;4-[(4-chlorophenyl)-bis(4-hydroxyphenyl)methyl]phenol;1-chloro-4-[tris(4-iodophenyl)methyl]benzene |
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| PubChem CID | 159702219 |
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| Molecular Formula | C100H73Br3Cl4I3N3O3 |
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| Molecular Weight | 2126.94 g/mol |
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| Exact Mass | 2120.91 |
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| IUPAC Name | 4-[bis(4-aminophenyl)-(4-chlorophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-chlorophenyl)methyl]-4-bromobenzene;4-[(4-chlorophenyl)-bis(4-hydroxyphenyl)methyl]phenol;1-chloro-4-[tris(4-iodophenyl)methyl]benzene |
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| SMILES | Clc1ccc(C(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.Clc1ccc(C(c2ccc(I)cc2)(c2ccc(I)cc2)c2ccc(I)cc2)cc1.Nc1ccc(C(c2ccc(N)cc2)(c2ccc(N)cc2)c2ccc(Cl)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccc(Cl)cc2)cc1 |
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| InChI | InChI=1S/C25H16Br3Cl.C25H16ClI3.C25H22ClN3.C25H19ClO3/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/h2*1-16H;1-16H,27-29H2;1-16,27-29H |
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| InChIKey | MXTPOHPHXFTKFM-UHFFFAOYSA-N |
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| XLogP | 28.86 |
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| TPSA | 138.75 Ų |
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| H-Bond Donors | 6 |
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| H-Bond Acceptors | 6 |
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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 | 2126.94 |
| LogP ≤ 5 | 28.86 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 6 |
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-chlorophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-chlorophenyl)methyl]-4-bromobenzene;4-[(4-chlorophenyl)-bis(4-hydroxyphenyl)methyl]phenol;1-chloro-4-[tris(4-iodophenyl)methyl]benzene with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-[bis(4-aminophenyl)-(4-chlorophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-chlorophenyl)methyl]-4-bromobenzene;4-[(4-chlorophenyl)-bis(4-hydroxyphenyl)methyl]phenol;1-chloro-4-[tris(4-iodophenyl)methyl]benzene?
The IUPAC name of 4-[bis(4-aminophenyl)-(4-chlorophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-chlorophenyl)methyl]-4-bromobenzene;4-[(4-chlorophenyl)-bis(4-hydroxyphenyl)methyl]phenol;1-chloro-4-[tris(4-iodophenyl)methyl]benzene (CID 159702219) is 4-[bis(4-aminophenyl)-(4-chlorophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-chlorophenyl)methyl]-4-bromobenzene;4-[(4-chlorophenyl)-bis(4-hydroxyphenyl)methyl]phenol;1-chloro-4-[tris(4-iodophenyl)methyl]benzene.
What is the SMILES notation for 4-[bis(4-aminophenyl)-(4-chlorophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-chlorophenyl)methyl]-4-bromobenzene;4-[(4-chlorophenyl)-bis(4-hydroxyphenyl)methyl]phenol;1-chloro-4-[tris(4-iodophenyl)methyl]benzene?
The canonical SMILES for 4-[bis(4-aminophenyl)-(4-chlorophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-chlorophenyl)methyl]-4-bromobenzene;4-[(4-chlorophenyl)-bis(4-hydroxyphenyl)methyl]phenol;1-chloro-4-[tris(4-iodophenyl)methyl]benzene is Clc1ccc(C(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.Clc1ccc(C(c2ccc(I)cc2)(c2ccc(I)cc2)c2ccc(I)cc2)cc1.Nc1ccc(C(c2ccc(N)cc2)(c2ccc(N)cc2)c2ccc(Cl)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[bis(4-aminophenyl)-(4-chlorophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-chlorophenyl)methyl]-4-bromobenzene;4-[(4-chlorophenyl)-bis(4-hydroxyphenyl)methyl]phenol;1-chloro-4-[tris(4-iodophenyl)methyl]benzene?
The InChIKey is MXTPOHPHXFTKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Br3Cl.C25H16ClI3.C25H22ClN3.C25H19ClO3/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/h2*1-16H;1-16H,27-29H2;1-16,27-29H.
What are the key properties of 4-[bis(4-aminophenyl)-(4-chlorophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-chlorophenyl)methyl]-4-bromobenzene;4-[(4-chlorophenyl)-bis(4-hydroxyphenyl)methyl]phenol;1-chloro-4-[tris(4-iodophenyl)methyl]benzene?
4-[bis(4-aminophenyl)-(4-chlorophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-chlorophenyl)methyl]-4-bromobenzene;4-[(4-chlorophenyl)-bis(4-hydroxyphenyl)methyl]phenol;1-chloro-4-[tris(4-iodophenyl)methyl]benzene has a molecular weight of 2126.94 g/mol, XLogP of 28.86, 16 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-aminophenyl)-(4-chlorophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-chlorophenyl)methyl]-4-bromobenzene;4-[(4-chlorophenyl)-bis(4-hydroxyphenyl)methyl]phenol;1-chloro-4-[tris(4-iodophenyl)methyl]benzene is sourced from PubChem (CID 159702219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).