[4-(1-adamantyl)phenyl]-phenyliodanium

C22H24I+ — CID 154594349

IUPAC[4-(1-adamantyl)phenyl]-phenyliodanium
SMILESc1ccc([I+]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1
InChIInChI=1S/C22H24I/c1-2-4-20(5-3-1)23-21-8-6-19(7-9-21)22-13-16-10-17(14-22)12-18(11-16)15-22/h1-9,16-18H,10-15H2/q+1
InChIKeyMOACWADDTCOUIV-UHFFFAOYSA-N
MW415.34 g/mol
LogP2.28
Rot. Bonds3

About [4-(1-adamantyl)phenyl]-phenyliodanium

[4-(1-adamantyl)phenyl]-phenyliodanium (PubChem CID 154594349) has the molecular formula C22H24I+ and a molecular weight of 415.34 g/mol. Its IUPAC name is [4-(1-adamantyl)phenyl]-phenyliodanium.

Molecular Properties

Compound Name[4-(1-adamantyl)phenyl]-phenyliodanium
PubChem CID154594349
Molecular FormulaC22H24I+
Molecular Weight415.34 g/mol
Exact Mass415.09
IUPAC Name[4-(1-adamantyl)phenyl]-phenyliodanium
SMILESc1ccc([I+]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1
InChIInChI=1S/C22H24I/c1-2-4-20(5-3-1)23-21-8-6-19(7-9-21)22-13-16-10-17(14-22)12-18(11-16)15-22/h1-9,16-18H,10-15H2/q+1
InChIKeyMOACWADDTCOUIV-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-phenylsulfanylphenyl)adamantane
CID 118102997
1-[4-(1-adamantyl)phenyl]-3-phenylthiourea
CID 3966717
1-phenylbicyclo[2.1.1]hexane
CID 588664
1-[4-(3-tert-butyl-5-phenylphenyl)phenyl]adamantane
CID 168808380
CID 100937762
CID 100937762
3-[4-(1-adamantyl)phenyl]-4-phenylaniline
CID 175848459
4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169386127
(4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine
CID 162398059
2-(1-adamantyl)-9,9-dimethylfluorene
CID 59217277
N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139352768
diphenyliodanium;hydroiodide
CID 54604341
3-[4-(1-adamantyl)phenyl]prop-2-ynoic acid
CID 141276738

Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantyl)phenyl]-phenyliodanium?
The IUPAC name of [4-(1-adamantyl)phenyl]-phenyliodanium (CID 154594349) is [4-(1-adamantyl)phenyl]-phenyliodanium.
What is the SMILES notation for [4-(1-adamantyl)phenyl]-phenyliodanium?
The canonical SMILES for [4-(1-adamantyl)phenyl]-phenyliodanium is c1ccc([I+]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1.
What is the InChIKey of [4-(1-adamantyl)phenyl]-phenyliodanium?
The InChIKey is MOACWADDTCOUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24I/c1-2-4-20(5-3-1)23-21-8-6-19(7-9-21)22-13-16-10-17(14-22)12-18(11-16)15-22/h1-9,16-18H,10-15H2/q+1.
What are the key properties of [4-(1-adamantyl)phenyl]-phenyliodanium?
[4-(1-adamantyl)phenyl]-phenyliodanium has a molecular weight of 415.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantyl)phenyl]-phenyliodanium is sourced from PubChem (CID 154594349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).