About cyclopenta-1,3-diene;cyclopentane;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;bis(iron(6+));dicyanide
cyclopenta-1,3-diene;cyclopentane;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;bis(iron(6+));dicyanide (PubChem CID 135534793) has the molecular formula C96H94Fe4N6O4P4+8
and a molecular weight of 1743.12 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopentane;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;bis(iron(6+));dicyanide.
Molecular Properties
| Compound Name | cyclopenta-1,3-diene;cyclopentane;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;bis(iron(6+));dicyanide |
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| PubChem CID | 135534793 |
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| Molecular Formula | C96H94Fe4N6O4P4+8 |
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| Molecular Weight | 1743.12 g/mol |
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| Exact Mass | 1742.36 |
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| IUPAC Name | cyclopenta-1,3-diene;cyclopentane;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;bis(iron(6+));dicyanide |
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| SMILES | Oc1ccccc1/C=N\CC/N=C/c1ccccc1O.Oc1ccccc1/C=N\CC/N=C/c1ccccc1O.[C-]#N.[C-]#N.[Fe+6].[Fe+6].[Fe].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
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| InChI | InChI=1S/2C26H24P2.2C16H16N2O2.2C5H5.2CN.4Fe/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*1-2-4-5-3-1;2*1-2;;;;/h2*1-20H,21-22H2;2*1-8,11-12,19-20H,9-10H2;2*1-5H;;;;;;/q;;;;-5;3*-1;;;2*+6/p+4/b;;2*17-11-,18-12+;;;;;;;; |
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| InChIKey | QLNZDTXXHDMVGW-TYOUYDPSSA-R |
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| XLogP | 17.70 |
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| TPSA | 177.94 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 24 |
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| Heavy Atoms | 114 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1743.12 |
| LogP ≤ 5 | 17.70 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of cyclopenta-1,3-diene;cyclopentane;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;bis(iron(6+));dicyanide?
The IUPAC name of cyclopenta-1,3-diene;cyclopentane;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;bis(iron(6+));dicyanide (CID 135534793) is cyclopenta-1,3-diene;cyclopentane;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;bis(iron(6+));dicyanide.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopentane;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;bis(iron(6+));dicyanide?
The canonical SMILES for cyclopenta-1,3-diene;cyclopentane;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;bis(iron(6+));dicyanide is Oc1ccccc1/C=N\CC/N=C/c1ccccc1O.Oc1ccccc1/C=N\CC/N=C/c1ccccc1O.[C-]#N.[C-]#N.[Fe+6].[Fe+6].[Fe].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopentane;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;bis(iron(6+));dicyanide?
The InChIKey is QLNZDTXXHDMVGW-TYOUYDPSSA-R. The full InChI is InChI=1S/2C26H24P2.2C16H16N2O2.2C5H5.2CN.4Fe/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*1-2-4-5-3-1;2*1-2;;;;/h2*1-20H,21-22H2;2*1-8,11-12,19-20H,9-10H2;2*1-5H;;;;;;/q;;;;-5;3*-1;;;2*+6/p+4/b;;2*17-11-,18-12+;;;;;;;;.
What are the key properties of cyclopenta-1,3-diene;cyclopentane;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;bis(iron(6+));dicyanide?
cyclopenta-1,3-diene;cyclopentane;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;bis(iron(6+));dicyanide has a molecular weight of 1743.12 g/mol, XLogP of 17.70, 24 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopentane;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;bis(iron(6+));dicyanide is sourced from PubChem (CID 135534793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).