bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene)

C44H16F16I4N12 — CID 139043462

About bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene)

bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene) (PubChem CID 139043462) has the molecular formula C44H16F16I4N12 and a molecular weight of 1524.28 g/mol. Its IUPAC name is bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene).

Molecular Properties

• Compound Name: bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene)
• PubChem CID: 139043462
• Molecular Formula: C44H16F16I4N12
• Molecular Weight: 1524.28 g/mol
• Exact Mass: 1523.75
• IUPAC Name: bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene)
• SMILES: Fc1c(F)c(/N=N/c2c(F)c(F)c(I)c(F)c2F)c(F)c(F)c1I.Fc1c(F)c(/N=N/c2c(F)c(F)c(I)c(F)c2F)c(F)c(F)c1I.c1cc(/N=N/c2ccncc2)ccn1.c1cc(/N=N/c2ccncc2)ccn1
• InChI: InChI=1S/2C12F8I2N2.2C10H8N4/c2*13-1-5(17)11(6(18)2(14)9(1)21)23-24-12-7(19)3(15)10(22)4(16)8(12)20;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+
• InChIKey: RRSVBZXTNNWQSM-FIICYARUSA-N
• XLogP: 18.63
• TPSA: 150.44 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1524.28
LogP ≤ 5	18.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene)?

The IUPAC name of bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene) (CID 139043462) is bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene).

What is the SMILES notation for bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene)?

The canonical SMILES for bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene) is Fc1c(F)c(/N=N/c2c(F)c(F)c(I)c(F)c2F)c(F)c(F)c1I.Fc1c(F)c(/N=N/c2c(F)c(F)c(I)c(F)c2F)c(F)c(F)c1I.c1cc(/N=N/c2ccncc2)ccn1.c1cc(/N=N/c2ccncc2)ccn1.

What is the InChIKey of bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene)?

The InChIKey is RRSVBZXTNNWQSM-FIICYARUSA-N. The full InChI is InChI=1S/2C12F8I2N2.2C10H8N4/c2*13-1-5(17)11(6(18)2(14)9(1)21)23-24-12-7(19)3(15)10(22)4(16)8(12)20;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(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene)?

bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene) has a molecular weight of 1524.28 g/mol, XLogP of 18.63, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene) is sourced from PubChem (CID 139043462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).