About N'-[(Z)-1,3-bis[3-(3-pyridin-3-ylphenyl)phenyl]prop-1-enyl]-N-methylidenebenzenecarboximidamide
N'-[(Z)-1,3-bis[3-(3-pyridin-3-ylphenyl)phenyl]prop-1-enyl]-N-methylidenebenzenecarboximidamide (PubChem CID 145018488) has the molecular formula C45H34N4
and a molecular weight of 630.80 g/mol. Its IUPAC name is N'-[(Z)-1,3-bis[3-(3-pyridin-3-ylphenyl)phenyl]prop-1-enyl]-N-methylidenebenzenecarboximidamide.
Molecular Properties
| Compound Name | N'-[(Z)-1,3-bis[3-(3-pyridin-3-ylphenyl)phenyl]prop-1-enyl]-N-methylidenebenzenecarboximidamide |
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| PubChem CID | 145018488 |
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| Molecular Formula | C45H34N4 |
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| Molecular Weight | 630.80 g/mol |
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| Exact Mass | 630.28 |
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| IUPAC Name | N'-[(Z)-1,3-bis[3-(3-pyridin-3-ylphenyl)phenyl]prop-1-enyl]-N-methylidenebenzenecarboximidamide |
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| SMILES | C=N/C(=N\C(=C/Cc1cccc(-c2cccc(-c3cccnc3)c2)c1)c1cccc(-c2cccc(-c3cccnc3)c2)c1)c1ccccc1 |
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| InChI | InChI=1S/C45H34N4/c1-46-45(34-12-3-2-4-13-34)49-44(41-20-8-17-38(30-41)37-16-7-19-40(29-37)43-22-10-26-48-32-43)24-23-33-11-5-14-35(27-33)36-15-6-18-39(28-36)42-21-9-25-47-31-42/h2-22,24-32H,1,23H2/b44-24-,49-45- |
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| InChIKey | GKHIYUFOXGPVRC-OHDNBUNYSA-N |
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| XLogP | 10.88 |
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| TPSA | 50.50 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 49 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 630.80 |
| LogP ≤ 5 | 10.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-[(Z)-1,3-bis[3-(3-pyridin-3-ylphenyl)phenyl]prop-1-enyl]-N-methylidenebenzenecarboximidamide?
The IUPAC name of N'-[(Z)-1,3-bis[3-(3-pyridin-3-ylphenyl)phenyl]prop-1-enyl]-N-methylidenebenzenecarboximidamide (CID 145018488) is N'-[(Z)-1,3-bis[3-(3-pyridin-3-ylphenyl)phenyl]prop-1-enyl]-N-methylidenebenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-1,3-bis[3-(3-pyridin-3-ylphenyl)phenyl]prop-1-enyl]-N-methylidenebenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-1,3-bis[3-(3-pyridin-3-ylphenyl)phenyl]prop-1-enyl]-N-methylidenebenzenecarboximidamide is C=N/C(=N\C(=C/Cc1cccc(-c2cccc(-c3cccnc3)c2)c1)c1cccc(-c2cccc(-c3cccnc3)c2)c1)c1ccccc1.
What is the InChIKey of N'-[(Z)-1,3-bis[3-(3-pyridin-3-ylphenyl)phenyl]prop-1-enyl]-N-methylidenebenzenecarboximidamide?
The InChIKey is GKHIYUFOXGPVRC-OHDNBUNYSA-N. The full InChI is InChI=1S/C45H34N4/c1-46-45(34-12-3-2-4-13-34)49-44(41-20-8-17-38(30-41)37-16-7-19-40(29-37)43-22-10-26-48-32-43)24-23-33-11-5-14-35(27-33)36-15-6-18-39(28-36)42-21-9-25-47-31-42/h2-22,24-32H,1,23H2/b44-24-,49-45-.
What are the key properties of N'-[(Z)-1,3-bis[3-(3-pyridin-3-ylphenyl)phenyl]prop-1-enyl]-N-methylidenebenzenecarboximidamide?
N'-[(Z)-1,3-bis[3-(3-pyridin-3-ylphenyl)phenyl]prop-1-enyl]-N-methylidenebenzenecarboximidamide has a molecular weight of 630.80 g/mol, XLogP of 10.88, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1,3-bis[3-(3-pyridin-3-ylphenyl)phenyl]prop-1-enyl]-N-methylidenebenzenecarboximidamide is sourced from PubChem (CID 145018488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).