phenyl-(3-phenyl-1H-inden-2-yl)iodanium

C21H16I+ — CID 102073091

IUPACphenyl-(3-phenyl-1H-inden-2-yl)iodanium
SMILESc1ccc([I+]C2=C(c3ccccc3)c3ccccc3C2)cc1
InChIInChI=1S/C21H16I/c1-3-9-16(10-4-1)21-19-14-8-7-11-17(19)15-20(21)22-18-12-5-2-6-13-18/h1-14H,15H2/q+1
InChIKeyMEOQJVHFFTXADO-UHFFFAOYSA-N
MW395.26 g/mol
LogP1.96
Rot. Bonds3

About phenyl-(3-phenyl-1H-inden-2-yl)iodanium

phenyl-(3-phenyl-1H-inden-2-yl)iodanium (PubChem CID 102073091) has the molecular formula C21H16I+ and a molecular weight of 395.26 g/mol. Its IUPAC name is phenyl-(3-phenyl-1H-inden-2-yl)iodanium.

Molecular Properties

Compound Namephenyl-(3-phenyl-1H-inden-2-yl)iodanium
PubChem CID102073091
Molecular FormulaC21H16I+
Molecular Weight395.26 g/mol
Exact Mass395.03
IUPAC Namephenyl-(3-phenyl-1H-inden-2-yl)iodanium
SMILESc1ccc([I+]C2=C(c3ccccc3)c3ccccc3C2)cc1
InChIInChI=1S/C21H16I/c1-3-9-16(10-4-1)21-19-14-8-7-11-17(19)15-20(21)22-18-12-5-2-6-13-18/h1-14H,15H2/q+1
InChIKeyMEOQJVHFFTXADO-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 51.96
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

2-cyclopropyl-3-phenyl-1H-indene
CID 134995236
(1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene
CID 139039529
2-methylsulfanyl-3-phenyl-1H-indene
CID 5133022
1,1'-biphenyl;9H-fluorene;hydrazine
CID 157286275
chloro-dimethyl-(3-phenyl-1H-inden-2-yl)silane
CID 142448788
3-phenyl-1H-indene-2-carboxylate
CID 23222406
7-phenyl-12H-pyrido[2,1-b][3]benzazepin-5-ium-6-amine
CID 163997243
1,1'-biphenyl;9H-fluorene;phenol
CID 161306435
9H-fluorene;trihydrofluoride
CID 172854917
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
chromium;9H-fluorene
CID 161167703

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-phenyl-1H-inden-2-yl)iodanium?
The IUPAC name of phenyl-(3-phenyl-1H-inden-2-yl)iodanium (CID 102073091) is phenyl-(3-phenyl-1H-inden-2-yl)iodanium.
What is the SMILES notation for phenyl-(3-phenyl-1H-inden-2-yl)iodanium?
The canonical SMILES for phenyl-(3-phenyl-1H-inden-2-yl)iodanium is c1ccc([I+]C2=C(c3ccccc3)c3ccccc3C2)cc1.
What is the InChIKey of phenyl-(3-phenyl-1H-inden-2-yl)iodanium?
The InChIKey is MEOQJVHFFTXADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16I/c1-3-9-16(10-4-1)21-19-14-8-7-11-17(19)15-20(21)22-18-12-5-2-6-13-18/h1-14H,15H2/q+1.
What are the key properties of phenyl-(3-phenyl-1H-inden-2-yl)iodanium?
phenyl-(3-phenyl-1H-inden-2-yl)iodanium has a molecular weight of 395.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-phenyl-1H-inden-2-yl)iodanium is sourced from PubChem (CID 102073091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).