About (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine
(Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine (PubChem CID 166569028) has the molecular formula C48H34N2
and a molecular weight of 638.81 g/mol. Its IUPAC name is (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine.
Molecular Properties
| Compound Name | (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine |
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| PubChem CID | 166569028 |
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| Molecular Formula | C48H34N2 |
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| Molecular Weight | 638.81 g/mol |
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| Exact Mass | 638.27 |
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| IUPAC Name | (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine |
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| SMILES | [H]/N=C(/C=C(/c1ccccc1)c1cccc2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)c3)cc12)c1ccccc1 |
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| InChI | InChI=1S/C48H34N2/c49-46(38-18-9-3-10-19-38)33-45(36-16-7-2-8-17-36)43-23-13-22-37-26-29-41(30-44(37)43)42-31-47(39-20-11-4-12-21-39)50-48(32-42)40-27-24-35(25-28-40)34-14-5-1-6-15-34/h1-33,49H/b45-33-,49-46- |
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| InChIKey | VCZUNCQSTKHPBQ-MQLOCUGTSA-N |
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| XLogP | 12.40 |
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| TPSA | 36.74 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 50 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 638.81 |
| LogP ≤ 5 | 12.40 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine?
The IUPAC name of (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine (CID 166569028) is (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine.
What is the SMILES notation for (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine?
The canonical SMILES for (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine is [H]/N=C(/C=C(/c1ccccc1)c1cccc2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)c3)cc12)c1ccccc1.
What is the InChIKey of (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine?
The InChIKey is VCZUNCQSTKHPBQ-MQLOCUGTSA-N. The full InChI is InChI=1S/C48H34N2/c49-46(38-18-9-3-10-19-38)33-45(36-16-7-2-8-17-36)43-23-13-22-37-26-29-41(30-44(37)43)42-31-47(39-20-11-4-12-21-39)50-48(32-42)40-27-24-35(25-28-40)34-14-5-1-6-15-34/h1-33,49H/b45-33-,49-46-.
What are the key properties of (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine?
(Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine has a molecular weight of 638.81 g/mol, XLogP of 12.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine is sourced from PubChem (CID 166569028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).