[2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate

C22H30BF4I — CID 87322663

IUPAC[2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate
SMILESCCCCCCCCCCc1ccc(-c2ccccc2[IH+])cc1.F[B-](F)(F)F
InChIInChI=1S/C22H30I.BF4/c1-2-3-4-5-6-7-8-9-12-19-15-17-20(18-16-19)21-13-10-11-14-22(21)23;2-1(3,4)5/h10-11,13-18,23H,2-9,12H2,1H3;/q+1;-1
InChIKeyATPIAGSGZJSUTJ-UHFFFAOYSA-N
MW508.19 g/mol
LogP4.79
Rot. Bonds10

About [2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate

[2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate (PubChem CID 87322663) has the molecular formula C22H30BF4I and a molecular weight of 508.19 g/mol. Its IUPAC name is [2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate.

Molecular Properties

Compound Name[2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate
PubChem CID87322663
Molecular FormulaC22H30BF4I
Molecular Weight508.19 g/mol
Exact Mass508.14
IUPAC Name[2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate
SMILESCCCCCCCCCCc1ccc(-c2ccccc2[IH+])cc1.F[B-](F)(F)F
InChIInChI=1S/C22H30I.BF4/c1-2-3-4-5-6-7-8-9-12-19-15-17-20(18-16-19)21-13-10-11-14-22(21)23;2-1(3,4)5/h10-11,13-18,23H,2-9,12H2,1H3;/q+1;-1
InChIKeyATPIAGSGZJSUTJ-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.19
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
1-pentadecyl-4-phenylbenzene
CID 57166115
1-iodo-2-(4-octylphenyl)benzene
CID 87323299
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
2-(4-octylphenyl)benzoic acid
CID 23035037
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-ethenyl-2-(4-hexylphenyl)benzene
CID 173095750
1-decyl-4-iodobenzene tetrafluoroborate
CID 174595981
5,5,10,10-tetrakis(4-octylphenyl)indeno[2,1-a]indene
CID 102346967
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of [2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate?
The IUPAC name of [2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate (CID 87322663) is [2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate.
What is the SMILES notation for [2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate?
The canonical SMILES for [2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate is CCCCCCCCCCc1ccc(-c2ccccc2[IH+])cc1.F[B-](F)(F)F.
What is the InChIKey of [2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate?
The InChIKey is ATPIAGSGZJSUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30I.BF4/c1-2-3-4-5-6-7-8-9-12-19-15-17-20(18-16-19)21-13-10-11-14-22(21)23;2-1(3,4)5/h10-11,13-18,23H,2-9,12H2,1H3;/q+1;-1.
What are the key properties of [2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate?
[2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate has a molecular weight of 508.19 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate is sourced from PubChem (CID 87322663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).