About 4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine
4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine (PubChem CID 162039964) has the molecular formula C56H46N4
and a molecular weight of 775.01 g/mol. Its IUPAC name is 4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine.
Molecular Properties
| Compound Name | 4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine |
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| PubChem CID | 162039964 |
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| Molecular Formula | C56H46N4 |
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| Molecular Weight | 775.01 g/mol |
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| Exact Mass | 774.37 |
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| IUPAC Name | 4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine |
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| SMILES | c1ccc(N(c2ccccc2)c2ccc(Cc3ccc(Nc4ccc(Cc5ccc(Nc6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1 |
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| InChI | InChI=1S/C56H46N4/c1-5-13-51(14-6-1)59(52-15-7-2-8-16-52)55-37-27-46(28-38-55)42-45-25-31-48(32-26-45)57-47-29-21-43(22-30-47)41-44-23-33-49(34-24-44)58-50-35-39-56(40-36-50)60(53-17-9-3-10-18-53)54-19-11-4-12-20-54/h1-40,57-58H,41-42H2 |
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| InChIKey | XWLUCVWYOGGIOI-UHFFFAOYSA-N |
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| XLogP | 15.30 |
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| TPSA | 30.54 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 60 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 775.01 |
| LogP ≤ 5 | 15.30 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine (CID 162039964) is 4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine is c1ccc(N(c2ccccc2)c2ccc(Cc3ccc(Nc4ccc(Cc5ccc(Nc6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine?
The InChIKey is XWLUCVWYOGGIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N4/c1-5-13-51(14-6-1)59(52-15-7-2-8-16-52)55-37-27-46(28-38-55)42-45-25-31-48(32-26-45)57-47-29-21-43(22-30-47)41-44-23-33-49(34-24-44)58-50-35-39-56(40-36-50)60(53-17-9-3-10-18-53)54-19-11-4-12-20-54/h1-40,57-58H,41-42H2.
What are the key properties of 4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine?
4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine has a molecular weight of 775.01 g/mol, XLogP of 15.30, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 162039964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).