1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene

C24H34I- — CID 151164547

IUPAC1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene
SMILESCCCCCCCCCc1ccc([I-]c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H34I/c1-4-5-6-7-8-9-10-11-21-12-16-23(17-13-21)25-24-18-14-22(15-19-24)20(2)3/h12-20H,4-11H2,1-3H3/q-1
InChIKeyQQJHBYUNPFTGHX-UHFFFAOYSA-N
MW449.44 g/mol
LogP4.23
Rot. Bonds11

About 1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene

1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene (PubChem CID 151164547) has the molecular formula C24H34I- and a molecular weight of 449.44 g/mol. Its IUPAC name is 1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene.

Molecular Properties

Compound Name1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene
PubChem CID151164547
Molecular FormulaC24H34I-
Molecular Weight449.44 g/mol
Exact Mass449.17
IUPAC Name1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene
SMILESCCCCCCCCCc1ccc([I-]c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H34I/c1-4-5-6-7-8-9-10-11-21-12-16-23(17-13-21)25-24-18-14-22(15-19-24)20(2)3/h12-20H,4-11H2,1-3H3/q-1
InChIKeyQQJHBYUNPFTGHX-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 54.23
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'}

Analyze 1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-dodecyl-4-(4-dodecylphenyl)iodanuidylbenzene
CID 21133416
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
cumene;1-hexyl-4-propan-2-ylbenzene;methane;propane
CID 157275582
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
(1S)-1-(4-hexylphenyl)ethanamine
CID 25324494
(1S)-1-(4-octylphenyl)ethanol
CID 67859464
4-butylbenzenethiol;4-propan-2-ylbenzenethiol
CID 162129320
1-butyl-4-ethylbenzene;ethane;1-ethyl-4-propan-2-ylbenzene;methane
CID 176687496
1-butyl-4-nonylbenzene
CID 59545302
1,2-bis(4-octylphenyl)ethane-1,2-dithiol
CID 101102627
bis(4-tridecylphenyl)methanol
CID 139673626

Frequently Asked Questions

What is the IUPAC name of 1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene?
The IUPAC name of 1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene (CID 151164547) is 1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene.
What is the SMILES notation for 1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene?
The canonical SMILES for 1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene is CCCCCCCCCc1ccc([I-]c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene?
The InChIKey is QQJHBYUNPFTGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34I/c1-4-5-6-7-8-9-10-11-21-12-16-23(17-13-21)25-24-18-14-22(15-19-24)20(2)3/h12-20H,4-11H2,1-3H3/q-1.
What are the key properties of 1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene?
1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene has a molecular weight of 449.44 g/mol, XLogP of 4.23, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene is sourced from PubChem (CID 151164547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).