bis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+)

C52H44N2O6W — CID 169008055

IUPACbis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+)
SMILESC=CCOc1ccc(C2(c3ccc(OCC=C)cc3)C(=O)[N-]c3ccccc32)cc1.C=CCOc1ccc(C2(c3ccc(OCC=C)cc3)C(=O)[N-]c3ccccc32)cc1.[W+2]
InChIInChI=1S/2C26H23NO3.W/c2*1-3-17-29-21-13-9-19(10-14-21)26(20-11-15-22(16-12-20)30-18-4-2)23-7-5-6-8-24(23)27-25(26)28;/h2*3-16H,1-2,17-18H2,(H,27,28);/q;;+2/p-2
InChIKeyGFEPBOPEQCWRBS-UHFFFAOYSA-L
MW976.77 g/mol
LogP11.39
Rot. Bonds16

About bis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+)

bis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+) (PubChem CID 169008055) has the molecular formula C52H44N2O6W and a molecular weight of 976.77 g/mol. Its IUPAC name is bis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+).

Molecular Properties

Compound Namebis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+)
PubChem CID169008055
Molecular FormulaC52H44N2O6W
Molecular Weight976.77 g/mol
Exact Mass976.27
IUPAC Namebis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+)
SMILESC=CCOc1ccc(C2(c3ccc(OCC=C)cc3)C(=O)[N-]c3ccccc32)cc1.C=CCOc1ccc(C2(c3ccc(OCC=C)cc3)C(=O)[N-]c3ccccc32)cc1.[W+2]
InChIInChI=1S/2C26H23NO3.W/c2*1-3-17-29-21-13-9-19(10-14-21)26(20-11-15-22(16-12-20)30-18-4-2)23-7-5-6-8-24(23)27-25(26)28;/h2*3-16H,1-2,17-18H2,(H,27,28);/q;;+2/p-2
InChIKeyGFEPBOPEQCWRBS-UHFFFAOYSA-L
XLogP11.39
TPSA99.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.77
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+)?
The IUPAC name of bis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+) (CID 169008055) is bis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+).
What is the SMILES notation for bis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+)?
The canonical SMILES for bis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+) is C=CCOc1ccc(C2(c3ccc(OCC=C)cc3)C(=O)[N-]c3ccccc32)cc1.C=CCOc1ccc(C2(c3ccc(OCC=C)cc3)C(=O)[N-]c3ccccc32)cc1.[W+2].
What is the InChIKey of bis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+)?
The InChIKey is GFEPBOPEQCWRBS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C26H23NO3.W/c2*1-3-17-29-21-13-9-19(10-14-21)26(20-11-15-22(16-12-20)30-18-4-2)23-7-5-6-8-24(23)27-25(26)28;/h2*3-16H,1-2,17-18H2,(H,27,28);/q;;+2/p-2.
What are the key properties of bis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+)?
bis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+) has a molecular weight of 976.77 g/mol, XLogP of 11.39, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+) is sourced from PubChem (CID 169008055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).