bis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene)

C44H16Br4F16N12 — CID 139043460

IUPACbis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene)
SMILESFc1c(F)c(/N=N/c2c(F)c(F)c(Br)c(F)c2F)c(F)c(F)c1Br.Fc1c(F)c(/N=N/c2c(F)c(F)c(Br)c(F)c2F)c(F)c(F)c1Br.c1cc(/N=N/c2ccncc2)ccn1.c1cc(/N=N/c2ccncc2)ccn1
InChIInChI=1S/2C12Br2F8N2.2C10H8N4/c2*13-1-3(15)7(19)11(8(20)4(1)16)23-24-12-9(21)5(17)2(14)6(18)10(12)22;2*1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h;;2*1-8H/b2*24-23+;2*14-13+
InChIKeyWLUOSPAWZAMHKT-FIICYARUSA-N
MW1336.28 g/mol
LogP19.26
Rot. Bonds8

About bis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene)

bis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene) (PubChem CID 139043460) has the molecular formula C44H16Br4F16N12 and a molecular weight of 1336.28 g/mol. Its IUPAC name is bis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene).

Molecular Properties

Compound Namebis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene)
PubChem CID139043460
Molecular FormulaC44H16Br4F16N12
Molecular Weight1336.28 g/mol
Exact Mass1331.81
IUPAC Namebis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene)
SMILESFc1c(F)c(/N=N/c2c(F)c(F)c(Br)c(F)c2F)c(F)c(F)c1Br.Fc1c(F)c(/N=N/c2c(F)c(F)c(Br)c(F)c2F)c(F)c(F)c1Br.c1cc(/N=N/c2ccncc2)ccn1.c1cc(/N=N/c2ccncc2)ccn1
InChIInChI=1S/2C12Br2F8N2.2C10H8N4/c2*13-1-3(15)7(19)11(8(20)4(1)16)23-24-12-9(21)5(17)2(14)6(18)10(12)22;2*1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h;;2*1-8H/b2*24-23+;2*14-13+
InChIKeyWLUOSPAWZAMHKT-FIICYARUSA-N
XLogP19.26
TPSA150.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001336.28
LogP ≤ 519.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene)
CID 139043462
4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene
CID 139202654
benzene-1,3-diol;dipyridin-4-yldiazene
CID 139148024
4,6-dichlorobenzene-1,3-diol;dipyridin-4-yldiazene
CID 139202653
4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene
CID 139202655
4-bromopyridine
CID 67630228
(4-bromophenyl)-(4-fluorophenyl)diazene
CID 71365976
N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline
CID 153313292
CID 87457293
CID 87457293
(2,6-dichlorophenyl)methyl-pyridin-4-yldiazene
CID 90975390
4-bromopyridine;dihydrochloride
CID 141095562
2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide
CID 15255285

Frequently Asked Questions

What is the IUPAC name of bis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene)?
The IUPAC name of bis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene) (CID 139043460) is bis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene).
What is the SMILES notation for bis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene)?
The canonical SMILES for bis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene) is Fc1c(F)c(/N=N/c2c(F)c(F)c(Br)c(F)c2F)c(F)c(F)c1Br.Fc1c(F)c(/N=N/c2c(F)c(F)c(Br)c(F)c2F)c(F)c(F)c1Br.c1cc(/N=N/c2ccncc2)ccn1.c1cc(/N=N/c2ccncc2)ccn1.
What is the InChIKey of bis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene)?
The InChIKey is WLUOSPAWZAMHKT-FIICYARUSA-N. The full InChI is InChI=1S/2C12Br2F8N2.2C10H8N4/c2*13-1-3(15)7(19)11(8(20)4(1)16)23-24-12-9(21)5(17)2(14)6(18)10(12)22;2*1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h;;2*1-8H/b2*24-23+;2*14-13+.
What are the key properties of bis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene)?
bis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene) has a molecular weight of 1336.28 g/mol, XLogP of 19.26, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene) is sourced from PubChem (CID 139043460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).