About [(6Z)-6-isocyanoimino-2,8-bis[2-(trifluoromethyl)-4-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
[(6Z)-6-isocyanoimino-2,8-bis[2-(trifluoromethyl)-4-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide (PubChem CID 59156149) has the molecular formula C34H14F6N6
and a molecular weight of 620.52 g/mol. Its IUPAC name is [(6Z)-6-isocyanoimino-2,8-bis[2-(trifluoromethyl)-4-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide.
Molecular Properties
| Compound Name | [(6Z)-6-isocyanoimino-2,8-bis[2-(trifluoromethyl)-4-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide |
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| PubChem CID | 59156149 |
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| Molecular Formula | C34H14F6N6 |
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| Molecular Weight | 620.52 g/mol |
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| Exact Mass | 620.12 |
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| IUPAC Name | [(6Z)-6-isocyanoimino-2,8-bis[2-(trifluoromethyl)-4-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide |
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| SMILES | [C-]#[N+]/N=c1/c2cc(-c3ccnc(C(F)(F)F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccnc(C(F)(F)F)c5)ccc4c3cc12 |
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| InChI | InChI=1S/C34H14F6N6/c1-42-46-32-26-11-18(20-7-9-44-30(13-20)34(38,39)40)3-5-22(26)24-14-27-23(15-28(24)32)21-4-2-17(10-25(21)31(27)45-16-41)19-6-8-43-29(12-19)33(35,36)37/h2-15H/b45-31+,46-32- |
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| InChIKey | YRWCHDJRYBRDRF-HFELFQAKSA-N |
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| XLogP | 8.45 |
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| TPSA | 78.65 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 620.52 |
| LogP ≤ 5 | 8.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(6Z)-6-isocyanoimino-2,8-bis[2-(trifluoromethyl)-4-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide?
The IUPAC name of [(6Z)-6-isocyanoimino-2,8-bis[2-(trifluoromethyl)-4-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide (CID 59156149) is [(6Z)-6-isocyanoimino-2,8-bis[2-(trifluoromethyl)-4-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide.
What is the SMILES notation for [(6Z)-6-isocyanoimino-2,8-bis[2-(trifluoromethyl)-4-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide?
The canonical SMILES for [(6Z)-6-isocyanoimino-2,8-bis[2-(trifluoromethyl)-4-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide is [C-]#[N+]/N=c1/c2cc(-c3ccnc(C(F)(F)F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccnc(C(F)(F)F)c5)ccc4c3cc12.
What is the InChIKey of [(6Z)-6-isocyanoimino-2,8-bis[2-(trifluoromethyl)-4-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide?
The InChIKey is YRWCHDJRYBRDRF-HFELFQAKSA-N. The full InChI is InChI=1S/C34H14F6N6/c1-42-46-32-26-11-18(20-7-9-44-30(13-20)34(38,39)40)3-5-22(26)24-14-27-23(15-28(24)32)21-4-2-17(10-25(21)31(27)45-16-41)19-6-8-43-29(12-19)33(35,36)37/h2-15H/b45-31+,46-32-.
What are the key properties of [(6Z)-6-isocyanoimino-2,8-bis[2-(trifluoromethyl)-4-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide?
[(6Z)-6-isocyanoimino-2,8-bis[2-(trifluoromethyl)-4-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide has a molecular weight of 620.52 g/mol, XLogP of 8.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6Z)-6-isocyanoimino-2,8-bis[2-(trifluoromethyl)-4-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide is sourced from PubChem (CID 59156149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).