About carbanide;carbon monoxide;ethenylbenzene;ruthenium(2+);bis(tri(propan-2-yl)phosphane)
carbanide;carbon monoxide;ethenylbenzene;ruthenium(2+);bis(tri(propan-2-yl)phosphane) (PubChem CID 10864906) has the molecular formula C29H52O2P2Ru
and a molecular weight of 595.75 g/mol. Its IUPAC name is carbanide;carbon monoxide;ethenylbenzene;ruthenium(2+);bis(tri(propan-2-yl)phosphane).
Molecular Properties
| Compound Name | carbanide;carbon monoxide;ethenylbenzene;ruthenium(2+);bis(tri(propan-2-yl)phosphane) |
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| PubChem CID | 10864906 |
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| Molecular Formula | C29H52O2P2Ru |
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| Molecular Weight | 595.75 g/mol |
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| Exact Mass | 596.25 |
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| IUPAC Name | carbanide;carbon monoxide;ethenylbenzene;ruthenium(2+);bis(tri(propan-2-yl)phosphane) |
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| SMILES | CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[CH3-].[H]/[C-]=C\c1ccccc1.[Ru+2] |
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| InChI | InChI=1S/2C9H21P.C8H7.2CO.CH3.Ru/c2*1-7(2)10(8(3)4)9(5)6;1-2-8-6-4-3-5-7-8;2*1-2;;/h2*7-9H,1-6H3;1-7H;;;1H3;/q;;-1;;;-1;+2 |
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| InChIKey | JRIWXIRCHOELIE-UHFFFAOYSA-N |
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| XLogP | 9.89 |
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| TPSA | 39.80 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 595.75 |
| LogP ≤ 5 | 9.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of carbanide;carbon monoxide;ethenylbenzene;ruthenium(2+);bis(tri(propan-2-yl)phosphane)?
The IUPAC name of carbanide;carbon monoxide;ethenylbenzene;ruthenium(2+);bis(tri(propan-2-yl)phosphane) (CID 10864906) is carbanide;carbon monoxide;ethenylbenzene;ruthenium(2+);bis(tri(propan-2-yl)phosphane).
What is the SMILES notation for carbanide;carbon monoxide;ethenylbenzene;ruthenium(2+);bis(tri(propan-2-yl)phosphane)?
The canonical SMILES for carbanide;carbon monoxide;ethenylbenzene;ruthenium(2+);bis(tri(propan-2-yl)phosphane) is CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[CH3-].[H]/[C-]=C\c1ccccc1.[Ru+2].
What is the InChIKey of carbanide;carbon monoxide;ethenylbenzene;ruthenium(2+);bis(tri(propan-2-yl)phosphane)?
The InChIKey is JRIWXIRCHOELIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H21P.C8H7.2CO.CH3.Ru/c2*1-7(2)10(8(3)4)9(5)6;1-2-8-6-4-3-5-7-8;2*1-2;;/h2*7-9H,1-6H3;1-7H;;;1H3;/q;;-1;;;-1;+2.
What are the key properties of carbanide;carbon monoxide;ethenylbenzene;ruthenium(2+);bis(tri(propan-2-yl)phosphane)?
carbanide;carbon monoxide;ethenylbenzene;ruthenium(2+);bis(tri(propan-2-yl)phosphane) has a molecular weight of 595.75 g/mol, XLogP of 9.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;carbon monoxide;ethenylbenzene;ruthenium(2+);bis(tri(propan-2-yl)phosphane) is sourced from PubChem (CID 10864906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).