ethane;tetrakis([3-fluoro-4-[(2-fluorophenyl)diazenyl]phenyl]methanol)

C54H46F8N8O4 — CID 175152299

IUPACethane;tetrakis([3-fluoro-4-[(2-fluorophenyl)diazenyl]phenyl]methanol)
SMILESCC.OCc1ccc(/N=N/c2ccccc2F)c(F)c1.OCc1ccc(/N=N/c2ccccc2F)c(F)c1.OCc1ccc(/N=N/c2ccccc2F)c(F)c1.OCc1ccc(/N=N/c2ccccc2F)c(F)c1
InChIInChI=1S/4C13H10F2N2O.C2H6/c4*14-10-3-1-2-4-12(10)16-17-13-6-5-9(8-18)7-11(13)15;1-2/h4*1-7,18H,8H2;1-2H3/b4*17-16+;
InChIKeyUWHHGDBIENYKGD-MIECFDRSSA-N
MW1023.00 g/mol
LogP16.52
Rot. Bonds12

About ethane;tetrakis([3-fluoro-4-[(2-fluorophenyl)diazenyl]phenyl]methanol)

ethane;tetrakis([3-fluoro-4-[(2-fluorophenyl)diazenyl]phenyl]methanol) (PubChem CID 175152299) has the molecular formula C54H46F8N8O4 and a molecular weight of 1023.00 g/mol. Its IUPAC name is ethane;tetrakis([3-fluoro-4-[(2-fluorophenyl)diazenyl]phenyl]methanol).

Molecular Properties

Compound Nameethane;tetrakis([3-fluoro-4-[(2-fluorophenyl)diazenyl]phenyl]methanol)
PubChem CID175152299
Molecular FormulaC54H46F8N8O4
Molecular Weight1023.00 g/mol
Exact Mass1022.35
IUPAC Nameethane;tetrakis([3-fluoro-4-[(2-fluorophenyl)diazenyl]phenyl]methanol)
SMILESCC.OCc1ccc(/N=N/c2ccccc2F)c(F)c1.OCc1ccc(/N=N/c2ccccc2F)c(F)c1.OCc1ccc(/N=N/c2ccccc2F)c(F)c1.OCc1ccc(/N=N/c2ccccc2F)c(F)c1
InChIInChI=1S/4C13H10F2N2O.C2H6/c4*14-10-3-1-2-4-12(10)16-17-13-6-5-9(8-18)7-11(13)15;1-2/h4*1-7,18H,8H2;1-2H3/b4*17-16+;
InChIKeyUWHHGDBIENYKGD-MIECFDRSSA-N
XLogP16.52
TPSA179.80 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001023.00
LogP ≤ 516.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;tetrakis([3-fluoro-4-[(2-fluorophenyl)diazenyl]phenyl]methanol)?
The IUPAC name of ethane;tetrakis([3-fluoro-4-[(2-fluorophenyl)diazenyl]phenyl]methanol) (CID 175152299) is ethane;tetrakis([3-fluoro-4-[(2-fluorophenyl)diazenyl]phenyl]methanol).
What is the SMILES notation for ethane;tetrakis([3-fluoro-4-[(2-fluorophenyl)diazenyl]phenyl]methanol)?
The canonical SMILES for ethane;tetrakis([3-fluoro-4-[(2-fluorophenyl)diazenyl]phenyl]methanol) is CC.OCc1ccc(/N=N/c2ccccc2F)c(F)c1.OCc1ccc(/N=N/c2ccccc2F)c(F)c1.OCc1ccc(/N=N/c2ccccc2F)c(F)c1.OCc1ccc(/N=N/c2ccccc2F)c(F)c1.
What is the InChIKey of ethane;tetrakis([3-fluoro-4-[(2-fluorophenyl)diazenyl]phenyl]methanol)?
The InChIKey is UWHHGDBIENYKGD-MIECFDRSSA-N. The full InChI is InChI=1S/4C13H10F2N2O.C2H6/c4*14-10-3-1-2-4-12(10)16-17-13-6-5-9(8-18)7-11(13)15;1-2/h4*1-7,18H,8H2;1-2H3/b4*17-16+;.
What are the key properties of ethane;tetrakis([3-fluoro-4-[(2-fluorophenyl)diazenyl]phenyl]methanol)?
ethane;tetrakis([3-fluoro-4-[(2-fluorophenyl)diazenyl]phenyl]methanol) has a molecular weight of 1023.00 g/mol, XLogP of 16.52, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tetrakis([3-fluoro-4-[(2-fluorophenyl)diazenyl]phenyl]methanol) is sourced from PubChem (CID 175152299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).