bis(2-nonadecylphenyl)iodanium

C50H86I+ — CID 20554900

IUPACbis(2-nonadecylphenyl)iodanium
SMILESCCCCCCCCCCCCCCCCCCCc1ccccc1[I+]c1ccccc1CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H86I/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-47-43-37-39-45-49(47)51-50-46-40-38-44-48(50)42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-40,43-46H,3-36,41-42H2,1-2H3/q+1
InChIKeyXDTPAAIOHQNONZ-UHFFFAOYSA-N
MW814.14 g/mol
LogP14.20
Rot. Bonds38

About bis(2-nonadecylphenyl)iodanium

bis(2-nonadecylphenyl)iodanium (PubChem CID 20554900) has the molecular formula C50H86I+ and a molecular weight of 814.14 g/mol. Its IUPAC name is bis(2-nonadecylphenyl)iodanium.

Molecular Properties

Compound Namebis(2-nonadecylphenyl)iodanium
PubChem CID20554900
Molecular FormulaC50H86I+
Molecular Weight814.14 g/mol
Exact Mass813.58
IUPAC Namebis(2-nonadecylphenyl)iodanium
SMILESCCCCCCCCCCCCCCCCCCCc1ccccc1[I+]c1ccccc1CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H86I/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-47-43-37-39-45-49(47)51-50-46-40-38-44-48(50)42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-40,43-46H,3-36,41-42H2,1-2H3/q+1
InChIKeyXDTPAAIOHQNONZ-UHFFFAOYSA-N
XLogP14.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds38
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.14
LogP ≤ 514.20
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

(2-dodecylphenyl)-phenyliodanium
CID 71346561
CID 173133935
CID 173133935
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
1,2-dihexylbenzene;hydrate
CID 172833093
1-ethyl-2-henicosylbenzene
CID 141174443
2-heptyl-N,N-dimethylaniline
CID 69464807
2-dodecylphenol
CID 160834917
1,2-didecylbenzene;phosphonous acid
CID 70526437

Frequently Asked Questions

What is the IUPAC name of bis(2-nonadecylphenyl)iodanium?
The IUPAC name of bis(2-nonadecylphenyl)iodanium (CID 20554900) is bis(2-nonadecylphenyl)iodanium.
What is the SMILES notation for bis(2-nonadecylphenyl)iodanium?
The canonical SMILES for bis(2-nonadecylphenyl)iodanium is CCCCCCCCCCCCCCCCCCCc1ccccc1[I+]c1ccccc1CCCCCCCCCCCCCCCCCCC.
What is the InChIKey of bis(2-nonadecylphenyl)iodanium?
The InChIKey is XDTPAAIOHQNONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H86I/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-47-43-37-39-45-49(47)51-50-46-40-38-44-48(50)42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-40,43-46H,3-36,41-42H2,1-2H3/q+1.
What are the key properties of bis(2-nonadecylphenyl)iodanium?
bis(2-nonadecylphenyl)iodanium has a molecular weight of 814.14 g/mol, XLogP of 14.20, 38 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-nonadecylphenyl)iodanium is sourced from PubChem (CID 20554900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).