carbon monoxide;dimethyl 7-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten

C32H25O10PW — CID 164673163

IUPACcarbon monoxide;dimethyl 7-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten
SMILESCOC(=O)C1=C(C(=O)OC)C2C(C)=C(C)C1P2c1ccccc1C#Cc1ccccc1OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChIInChI=1S/C27H25O5P.5CO.W/c1-16-17(2)25-23(27(29)32-5)22(26(28)31-4)24(16)33(25)21-13-9-7-11-19(21)15-14-18-10-6-8-12-20(18)30-3;5*1-2;/h6-13,24-25H,1-5H3;;;;;;
InChIKeyVJWGERNOBRWFOF-UHFFFAOYSA-N
MW784.36 g/mol
LogP3.76
Rot. Bonds4

About carbon monoxide;dimethyl 7-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten

carbon monoxide;dimethyl 7-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten (PubChem CID 164673163) has the molecular formula C32H25O10PW and a molecular weight of 784.36 g/mol. Its IUPAC name is carbon monoxide;dimethyl 7-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten.

Molecular Properties

Compound Namecarbon monoxide;dimethyl 7-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten
PubChem CID164673163
Molecular FormulaC32H25O10PW
Molecular Weight784.36 g/mol
Exact Mass784.07
IUPAC Namecarbon monoxide;dimethyl 7-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten
SMILESCOC(=O)C1=C(C(=O)OC)C2C(C)=C(C)C1P2c1ccccc1C#Cc1ccccc1OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChIInChI=1S/C27H25O5P.5CO.W/c1-16-17(2)25-23(27(29)32-5)22(26(28)31-4)24(16)33(25)21-13-9-7-11-19(21)15-14-18-10-6-8-12-20(18)30-3;5*1-2;/h6-13,24-25H,1-5H3;;;;;;
InChIKeyVJWGERNOBRWFOF-UHFFFAOYSA-N
XLogP3.76
TPSA161.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500784.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;dimethyl 7-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten?
The IUPAC name of carbon monoxide;dimethyl 7-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten (CID 164673163) is carbon monoxide;dimethyl 7-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten.
What is the SMILES notation for carbon monoxide;dimethyl 7-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten?
The canonical SMILES for carbon monoxide;dimethyl 7-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten is COC(=O)C1=C(C(=O)OC)C2C(C)=C(C)C1P2c1ccccc1C#Cc1ccccc1OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W].
What is the InChIKey of carbon monoxide;dimethyl 7-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten?
The InChIKey is VJWGERNOBRWFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25O5P.5CO.W/c1-16-17(2)25-23(27(29)32-5)22(26(28)31-4)24(16)33(25)21-13-9-7-11-19(21)15-14-18-10-6-8-12-20(18)30-3;5*1-2;/h6-13,24-25H,1-5H3;;;;;;.
What are the key properties of carbon monoxide;dimethyl 7-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten?
carbon monoxide;dimethyl 7-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten has a molecular weight of 784.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;dimethyl 7-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten is sourced from PubChem (CID 164673163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).