(2-dodecylphenyl)-phenyliodanium

C24H34I+ — CID 71346561

IUPAC(2-dodecylphenyl)-phenyliodanium
SMILESCCCCCCCCCCCCc1ccccc1[I+]c1ccccc1
InChIInChI=1S/C24H34I/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-15-16-21-24(22)25-23-19-13-11-14-20-23/h11,13-16,18-21H,2-10,12,17H2,1H3/q+1
InChIKeyZZBRELYUNZLIIQ-UHFFFAOYSA-N
MW449.44 g/mol
LogP4.28
Rot. Bonds13

About (2-dodecylphenyl)-phenyliodanium

(2-dodecylphenyl)-phenyliodanium (PubChem CID 71346561) has the molecular formula C24H34I+ and a molecular weight of 449.44 g/mol. Its IUPAC name is (2-dodecylphenyl)-phenyliodanium.

Molecular Properties

Compound Name(2-dodecylphenyl)-phenyliodanium
PubChem CID71346561
Molecular FormulaC24H34I+
Molecular Weight449.44 g/mol
Exact Mass449.17
IUPAC Name(2-dodecylphenyl)-phenyliodanium
SMILESCCCCCCCCCCCCc1ccccc1[I+]c1ccccc1
InChIInChI=1S/C24H34I/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-15-16-21-24(22)25-23-19-13-11-14-20-23/h11,13-16,18-21H,2-10,12,17H2,1H3/q+1
InChIKeyZZBRELYUNZLIIQ-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2-nonadecylphenyl)iodanium
CID 20554900
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
(2,3-didodecylphenyl)-(4-methylphenyl)iodanium
CID 21465847
(4-octylphenyl)-phenyliodanium
CID 16696664
1,2-dihexylbenzene;hydrate
CID 172833093
CID 173133935
CID 173133935
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227

Frequently Asked Questions

What is the IUPAC name of (2-dodecylphenyl)-phenyliodanium?
The IUPAC name of (2-dodecylphenyl)-phenyliodanium (CID 71346561) is (2-dodecylphenyl)-phenyliodanium.
What is the SMILES notation for (2-dodecylphenyl)-phenyliodanium?
The canonical SMILES for (2-dodecylphenyl)-phenyliodanium is CCCCCCCCCCCCc1ccccc1[I+]c1ccccc1.
What is the InChIKey of (2-dodecylphenyl)-phenyliodanium?
The InChIKey is ZZBRELYUNZLIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34I/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-15-16-21-24(22)25-23-19-13-11-14-20-23/h11,13-16,18-21H,2-10,12,17H2,1H3/q+1.
What are the key properties of (2-dodecylphenyl)-phenyliodanium?
(2-dodecylphenyl)-phenyliodanium has a molecular weight of 449.44 g/mol, XLogP of 4.28, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dodecylphenyl)-phenyliodanium is sourced from PubChem (CID 71346561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).