About N-[1-[(12R)-12-methyl-12H-indeno[2,1-a]carbazol-11-yl]ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide
N-[1-[(12R)-12-methyl-12H-indeno[2,1-a]carbazol-11-yl]ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide (PubChem CID 147214365) has the molecular formula C37H29N3
and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[1-[(12R)-12-methyl-12H-indeno[2,1-a]carbazol-11-yl]ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide.
Molecular Properties
| Compound Name | N-[1-[(12R)-12-methyl-12H-indeno[2,1-a]carbazol-11-yl]ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide |
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| PubChem CID | 147214365 |
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| Molecular Formula | C37H29N3 |
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| Molecular Weight | 515.66 g/mol |
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| Exact Mass | 515.24 |
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| IUPAC Name | N-[1-[(12R)-12-methyl-12H-indeno[2,1-a]carbazol-11-yl]ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide |
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| SMILES | C=C(/N=C(/N=C(\C)n1c2ccccc2c2ccc3c(c21)[C@H](C)c1ccccc1-3)c1ccccc1)c1ccccc1 |
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| InChI | InChI=1S/C37H29N3/c1-24-29-18-10-11-19-30(29)32-22-23-33-31-20-12-13-21-34(31)40(36(33)35(24)32)26(3)39-37(28-16-8-5-9-17-28)38-25(2)27-14-6-4-7-15-27/h4-24H,2H2,1,3H3/b38-37+,39-26+/t24-/m1/s1 |
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| InChIKey | CFUZXWGMBDXKNE-NIDBVHIOSA-N |
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| XLogP | 9.31 |
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| TPSA | 29.65 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 515.66 |
| LogP ≤ 5 | 9.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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-[1-[(12R)-12-methyl-12H-indeno[2,1-a]carbazol-11-yl]ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide?
The IUPAC name of N-[1-[(12R)-12-methyl-12H-indeno[2,1-a]carbazol-11-yl]ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide (CID 147214365) is N-[1-[(12R)-12-methyl-12H-indeno[2,1-a]carbazol-11-yl]ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide.
What is the SMILES notation for N-[1-[(12R)-12-methyl-12H-indeno[2,1-a]carbazol-11-yl]ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide?
The canonical SMILES for N-[1-[(12R)-12-methyl-12H-indeno[2,1-a]carbazol-11-yl]ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide is C=C(/N=C(/N=C(\C)n1c2ccccc2c2ccc3c(c21)[C@H](C)c1ccccc1-3)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-[(12R)-12-methyl-12H-indeno[2,1-a]carbazol-11-yl]ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide?
The InChIKey is CFUZXWGMBDXKNE-NIDBVHIOSA-N. The full InChI is InChI=1S/C37H29N3/c1-24-29-18-10-11-19-30(29)32-22-23-33-31-20-12-13-21-34(31)40(36(33)35(24)32)26(3)39-37(28-16-8-5-9-17-28)38-25(2)27-14-6-4-7-15-27/h4-24H,2H2,1,3H3/b38-37+,39-26+/t24-/m1/s1.
What are the key properties of N-[1-[(12R)-12-methyl-12H-indeno[2,1-a]carbazol-11-yl]ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide?
N-[1-[(12R)-12-methyl-12H-indeno[2,1-a]carbazol-11-yl]ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide has a molecular weight of 515.66 g/mol, XLogP of 9.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(12R)-12-methyl-12H-indeno[2,1-a]carbazol-11-yl]ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide is sourced from PubChem (CID 147214365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).