1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline)

C26H14F4I2N6 — CID 139202934

IUPAC1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline)
SMILESFc1c(F)c(I)c(F)c(F)c1I.c1ccc2c(c1)ccc1cnnn12.c1ccc2c(c1)ccc1cnnn12
InChIInChI=1S/2C10H7N3.C6F4I2/c2*1-2-4-10-8(3-1)5-6-9-7-11-12-13(9)10;7-1-2(8)6(12)4(10)3(9)5(1)11/h2*1-7H;
InChIKeyAVQJINSZEYICAJ-UHFFFAOYSA-N
MW740.24 g/mol
LogP7.22
Rot. Bonds

About 1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline)

1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline) (PubChem CID 139202934) has the molecular formula C26H14F4I2N6 and a molecular weight of 740.24 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline).

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline)
PubChem CID139202934
Molecular FormulaC26H14F4I2N6
Molecular Weight740.24 g/mol
Exact Mass739.93
IUPAC Name1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline)
SMILESFc1c(F)c(I)c(F)c(F)c1I.c1ccc2c(c1)ccc1cnnn12.c1ccc2c(c1)ccc1cnnn12
InChIInChI=1S/2C10H7N3.C6F4I2/c2*1-2-4-10-8(3-1)5-6-9-7-11-12-13(9)10;7-1-2(8)6(12)4(10)3(9)5(1)11/h2*1-7H;
InChIKeyAVQJINSZEYICAJ-UHFFFAOYSA-N
XLogP7.22
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.24
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetrafluoro-4-iodobenzoic acid;bis(triazolo[1,5-a]quinoline)
CID 139202938
1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine
CID 139175725
phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene
CID 139178593
2-methylpyrazolo[1,5-a]quinoline
CID 15620343
1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole
CID 14245429
7-methyltriazolo[1,5-a]pyridine
CID 12752362
triphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane
CID 139292625
5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline
CID 72700847
imidazo[1,5-a]quinolin-1-yl thiocyanate
CID 175713096
imidazo[1,5-a]quinolin-1-ylmethanol
CID 71535462
bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139179229
2-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)pyrazolo[1,5-a]quinoline
CID 129040134

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline)?
The IUPAC name of 1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline) (CID 139202934) is 1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline).
What is the SMILES notation for 1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline)?
The canonical SMILES for 1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline) is Fc1c(F)c(I)c(F)c(F)c1I.c1ccc2c(c1)ccc1cnnn12.c1ccc2c(c1)ccc1cnnn12.
What is the InChIKey of 1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline)?
The InChIKey is AVQJINSZEYICAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H7N3.C6F4I2/c2*1-2-4-10-8(3-1)5-6-9-7-11-12-13(9)10;7-1-2(8)6(12)4(10)3(9)5(1)11/h2*1-7H;.
What are the key properties of 1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline)?
1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline) has a molecular weight of 740.24 g/mol, XLogP of 7.22, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline) is sourced from PubChem (CID 139202934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).