tetrakis(2-methoxyquinoxalin-5-ol);tetrakis(2-methylquinoxalin-5-ol);tetrakis(quinoxalin-5-ol);zirconium

C104H88N24O16Zr3 — CID 158999579

IUPACtetrakis(2-methoxyquinoxalin-5-ol);tetrakis(2-methylquinoxalin-5-ol);tetrakis(quinoxalin-5-ol);zirconium
SMILESCOc1cnc2c(O)cccc2n1.COc1cnc2c(O)cccc2n1.COc1cnc2c(O)cccc2n1.COc1cnc2c(O)cccc2n1.Cc1cnc2c(O)cccc2n1.Cc1cnc2c(O)cccc2n1.Cc1cnc2c(O)cccc2n1.Cc1cnc2c(O)cccc2n1.Oc1cccc2nccnc12.Oc1cccc2nccnc12.Oc1cccc2nccnc12.Oc1cccc2nccnc12.[Zr].[Zr].[Zr]
InChIInChI=1S/4C9H8N2O2.4C9H8N2O.4C8H6N2O.3Zr/c4*1-13-8-5-10-9-6(11-8)3-2-4-7(9)12;4*1-6-5-10-9-7(11-6)3-2-4-8(9)12;4*11-7-3-1-2-6-8(7)10-5-4-9-6;;;/h4*2-5,12H,1H3;4*2-5,12H,1H3;4*1-5,11H;;;
InChIKeyHDZWWZHGQCASFL-UHFFFAOYSA-N
MW2203.67 g/mol
LogP17.29
Rot. Bonds4

About tetrakis(2-methoxyquinoxalin-5-ol);tetrakis(2-methylquinoxalin-5-ol);tetrakis(quinoxalin-5-ol);zirconium

tetrakis(2-methoxyquinoxalin-5-ol);tetrakis(2-methylquinoxalin-5-ol);tetrakis(quinoxalin-5-ol);zirconium (PubChem CID 158999579) has the molecular formula C104H88N24O16Zr3 and a molecular weight of 2203.67 g/mol. Its IUPAC name is tetrakis(2-methoxyquinoxalin-5-ol);tetrakis(2-methylquinoxalin-5-ol);tetrakis(quinoxalin-5-ol);zirconium.

Molecular Properties

Compound Nametetrakis(2-methoxyquinoxalin-5-ol);tetrakis(2-methylquinoxalin-5-ol);tetrakis(quinoxalin-5-ol);zirconium
PubChem CID158999579
Molecular FormulaC104H88N24O16Zr3
Molecular Weight2203.67 g/mol
Exact Mass2198.40
IUPAC Nametetrakis(2-methoxyquinoxalin-5-ol);tetrakis(2-methylquinoxalin-5-ol);tetrakis(quinoxalin-5-ol);zirconium
SMILESCOc1cnc2c(O)cccc2n1.COc1cnc2c(O)cccc2n1.COc1cnc2c(O)cccc2n1.COc1cnc2c(O)cccc2n1.Cc1cnc2c(O)cccc2n1.Cc1cnc2c(O)cccc2n1.Cc1cnc2c(O)cccc2n1.Cc1cnc2c(O)cccc2n1.Oc1cccc2nccnc12.Oc1cccc2nccnc12.Oc1cccc2nccnc12.Oc1cccc2nccnc12.[Zr].[Zr].[Zr]
InChIInChI=1S/4C9H8N2O2.4C9H8N2O.4C8H6N2O.3Zr/c4*1-13-8-5-10-9-6(11-8)3-2-4-7(9)12;4*1-6-5-10-9-7(11-6)3-2-4-8(9)12;4*11-7-3-1-2-6-8(7)10-5-4-9-6;;;/h4*2-5,12H,1H3;4*2-5,12H,1H3;4*1-5,11H;;;
InChIKeyHDZWWZHGQCASFL-UHFFFAOYSA-N
XLogP17.29
TPSA589.04 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds4
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002203.67
LogP ≤ 517.29
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2-methoxyquinoxalin-5-ol);tetrakis(2-methylquinoxalin-5-ol);tetrakis(quinoxalin-5-ol);zirconium?
The IUPAC name of tetrakis(2-methoxyquinoxalin-5-ol);tetrakis(2-methylquinoxalin-5-ol);tetrakis(quinoxalin-5-ol);zirconium (CID 158999579) is tetrakis(2-methoxyquinoxalin-5-ol);tetrakis(2-methylquinoxalin-5-ol);tetrakis(quinoxalin-5-ol);zirconium.
What is the SMILES notation for tetrakis(2-methoxyquinoxalin-5-ol);tetrakis(2-methylquinoxalin-5-ol);tetrakis(quinoxalin-5-ol);zirconium?
The canonical SMILES for tetrakis(2-methoxyquinoxalin-5-ol);tetrakis(2-methylquinoxalin-5-ol);tetrakis(quinoxalin-5-ol);zirconium is COc1cnc2c(O)cccc2n1.COc1cnc2c(O)cccc2n1.COc1cnc2c(O)cccc2n1.COc1cnc2c(O)cccc2n1.Cc1cnc2c(O)cccc2n1.Cc1cnc2c(O)cccc2n1.Cc1cnc2c(O)cccc2n1.Cc1cnc2c(O)cccc2n1.Oc1cccc2nccnc12.Oc1cccc2nccnc12.Oc1cccc2nccnc12.Oc1cccc2nccnc12.[Zr].[Zr].[Zr].
What is the InChIKey of tetrakis(2-methoxyquinoxalin-5-ol);tetrakis(2-methylquinoxalin-5-ol);tetrakis(quinoxalin-5-ol);zirconium?
The InChIKey is HDZWWZHGQCASFL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H8N2O2.4C9H8N2O.4C8H6N2O.3Zr/c4*1-13-8-5-10-9-6(11-8)3-2-4-7(9)12;4*1-6-5-10-9-7(11-6)3-2-4-8(9)12;4*11-7-3-1-2-6-8(7)10-5-4-9-6;;;/h4*2-5,12H,1H3;4*2-5,12H,1H3;4*1-5,11H;;;.
What are the key properties of tetrakis(2-methoxyquinoxalin-5-ol);tetrakis(2-methylquinoxalin-5-ol);tetrakis(quinoxalin-5-ol);zirconium?
tetrakis(2-methoxyquinoxalin-5-ol);tetrakis(2-methylquinoxalin-5-ol);tetrakis(quinoxalin-5-ol);zirconium has a molecular weight of 2203.67 g/mol, XLogP of 17.29, 4 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-methoxyquinoxalin-5-ol);tetrakis(2-methylquinoxalin-5-ol);tetrakis(quinoxalin-5-ol);zirconium is sourced from PubChem (CID 158999579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).