phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene

C42H24F4I2N6 — CID 139178593

IUPACphenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene
SMILESFc1c(F)c(I)c(F)c(I)c1F.c1ccc2nc3ccccc3nc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/3C12H8N2.C6F4I2/c3*1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;7-1-2(8)5(11)4(10)6(12)3(1)9/h3*1-8H;
InChIKeyMGIWRIKFBMEWCA-UHFFFAOYSA-N
MW942.50 g/mol
LogP11.80
Rot. Bonds

About phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene

phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene (PubChem CID 139178593) has the molecular formula C42H24F4I2N6 and a molecular weight of 942.50 g/mol. Its IUPAC name is phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene.

Molecular Properties

Compound Namephenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene
PubChem CID139178593
Molecular FormulaC42H24F4I2N6
Molecular Weight942.50 g/mol
Exact Mass942.01
IUPAC Namephenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene
SMILESFc1c(F)c(I)c(F)c(I)c1F.c1ccc2nc3ccccc3nc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/3C12H8N2.C6F4I2/c3*1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;7-1-2(8)5(11)4(10)6(12)3(1)9/h3*1-8H;
InChIKeyMGIWRIKFBMEWCA-UHFFFAOYSA-N
XLogP11.80
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.50
LogP ≤ 511.80
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine
CID 139175725
phenazine;silver
CID 175026023
hydron;phenazine
CID 175446889
1,2,3,4-tetrafluoroquinoxalino[2,3-b]quinoxaline
CID 58084932
bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139179229
4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139205206
diphenyl-bis(2,3,4,5-tetrafluoro-6-iodophenyl)germane
CID 635664
1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline)
CID 139202934
2,3,4-trifluoroquinoline
CID 70448794
bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139178587
pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139202621
benzene-1,3,5-triol;phenazine;hydrate
CID 139145331

Frequently Asked Questions

What is the IUPAC name of phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene?
The IUPAC name of phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene (CID 139178593) is phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene.
What is the SMILES notation for phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene?
The canonical SMILES for phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene is Fc1c(F)c(I)c(F)c(I)c1F.c1ccc2nc3ccccc3nc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2nc3ccccc3nc2c1.
What is the InChIKey of phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene?
The InChIKey is MGIWRIKFBMEWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H8N2.C6F4I2/c3*1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;7-1-2(8)5(11)4(10)6(12)3(1)9/h3*1-8H;.
What are the key properties of phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene?
phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene has a molecular weight of 942.50 g/mol, XLogP of 11.80, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene is sourced from PubChem (CID 139178593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).