bis(2-[(E)-2-phenylethenyl]quinolin-8-ol);zinc

C34H26N2O2Zn — CID 21339539

IUPACbis(2-[(E)-2-phenylethenyl]quinolin-8-ol);zinc
SMILESOc1cccc2ccc(/C=C/c3ccccc3)nc12.Oc1cccc2ccc(/C=C/c3ccccc3)nc12.[Zn]
InChIInChI=1S/2C17H13NO.Zn/c2*19-16-8-4-7-14-10-12-15(18-17(14)16)11-9-13-5-2-1-3-6-13;/h2*1-12,19H;/b2*11-9+;
InChIKeyYGYHSPOBKGSWTP-NPSXHENPSA-N
MW559.98 g/mol
LogP8.22
Rot. Bonds4

About bis(2-[(E)-2-phenylethenyl]quinolin-8-ol);zinc

bis(2-[(E)-2-phenylethenyl]quinolin-8-ol);zinc (PubChem CID 21339539) has the molecular formula C34H26N2O2Zn and a molecular weight of 559.98 g/mol. Its IUPAC name is bis(2-[(E)-2-phenylethenyl]quinolin-8-ol);zinc.

Molecular Properties

Compound Namebis(2-[(E)-2-phenylethenyl]quinolin-8-ol);zinc
PubChem CID21339539
Molecular FormulaC34H26N2O2Zn
Molecular Weight559.98 g/mol
Exact Mass558.13
IUPAC Namebis(2-[(E)-2-phenylethenyl]quinolin-8-ol);zinc
SMILESOc1cccc2ccc(/C=C/c3ccccc3)nc12.Oc1cccc2ccc(/C=C/c3ccccc3)nc12.[Zn]
InChIInChI=1S/2C17H13NO.Zn/c2*19-16-8-4-7-14-10-12-15(18-17(14)16)11-9-13-5-2-1-3-6-13;/h2*1-12,19H;/b2*11-9+;
InChIKeyYGYHSPOBKGSWTP-NPSXHENPSA-N
XLogP8.22
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.98
LogP ≤ 58.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-[(E)-2-phenylethenyl]quinolin-8-ol);zinc?
The IUPAC name of bis(2-[(E)-2-phenylethenyl]quinolin-8-ol);zinc (CID 21339539) is bis(2-[(E)-2-phenylethenyl]quinolin-8-ol);zinc.
What is the SMILES notation for bis(2-[(E)-2-phenylethenyl]quinolin-8-ol);zinc?
The canonical SMILES for bis(2-[(E)-2-phenylethenyl]quinolin-8-ol);zinc is Oc1cccc2ccc(/C=C/c3ccccc3)nc12.Oc1cccc2ccc(/C=C/c3ccccc3)nc12.[Zn].
What is the InChIKey of bis(2-[(E)-2-phenylethenyl]quinolin-8-ol);zinc?
The InChIKey is YGYHSPOBKGSWTP-NPSXHENPSA-N. The full InChI is InChI=1S/2C17H13NO.Zn/c2*19-16-8-4-7-14-10-12-15(18-17(14)16)11-9-13-5-2-1-3-6-13;/h2*1-12,19H;/b2*11-9+;.
What are the key properties of bis(2-[(E)-2-phenylethenyl]quinolin-8-ol);zinc?
bis(2-[(E)-2-phenylethenyl]quinolin-8-ol);zinc has a molecular weight of 559.98 g/mol, XLogP of 8.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[(E)-2-phenylethenyl]quinolin-8-ol);zinc is sourced from PubChem (CID 21339539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).