diiodotitanium;1-phenyl-1H-indene

C15H12I2Ti — CID 174711312

IUPACdiiodotitanium;1-phenyl-1H-indene
SMILESC1=CC(c2ccccc2)c2ccccc21.I[Ti]I
InChIInChI=1S/C15H12.2HI.Ti/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h1-11,15H;2*1H;/q;;;+2/p-2
InChIKeySWKXJZISIWWZGG-UHFFFAOYSA-L
MW493.94 g/mol
LogP5.61
Rot. Bonds1

About diiodotitanium;1-phenyl-1H-indene

diiodotitanium;1-phenyl-1H-indene (PubChem CID 174711312) has the molecular formula C15H12I2Ti and a molecular weight of 493.94 g/mol. Its IUPAC name is diiodotitanium;1-phenyl-1H-indene.

Molecular Properties

Compound Namediiodotitanium;1-phenyl-1H-indene
PubChem CID174711312
Molecular FormulaC15H12I2Ti
Molecular Weight493.94 g/mol
Exact Mass493.85
IUPAC Namediiodotitanium;1-phenyl-1H-indene
SMILESC1=CC(c2ccccc2)c2ccccc21.I[Ti]I
InChIInChI=1S/C15H12.2HI.Ti/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h1-11,15H;2*1H;/q;;;+2/p-2
InChIKeySWKXJZISIWWZGG-UHFFFAOYSA-L
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.94
LogP ≤ 55.61
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

(1S)-1-phenyl-1H-indene
CID 86309914
1-[3-(1H-inden-1-yl)phenyl]-1H-indene
CID 15872860
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215
1-(3-ethylphenyl)-1H-indene
CID 87675189
1-(3,5-ditert-butylphenyl)-1H-indene
CID 22613659
1-(4-butylphenyl)-1H-indene
CID 159304523
1-(2-methoxyphenyl)-1H-indene
CID 15345370
CID 173308465
CID 173308465
1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride
CID 25200218
2-[4-(1H-inden-1-yl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139731526
1-(2,3,4-trifluorophenyl)-1H-indene
CID 21095845
1-(2,3,4-trimethylphenyl)-1H-indene
CID 21095865

Frequently Asked Questions

What is the IUPAC name of diiodotitanium;1-phenyl-1H-indene?
The IUPAC name of diiodotitanium;1-phenyl-1H-indene (CID 174711312) is diiodotitanium;1-phenyl-1H-indene.
What is the SMILES notation for diiodotitanium;1-phenyl-1H-indene?
The canonical SMILES for diiodotitanium;1-phenyl-1H-indene is C1=CC(c2ccccc2)c2ccccc21.I[Ti]I.
What is the InChIKey of diiodotitanium;1-phenyl-1H-indene?
The InChIKey is SWKXJZISIWWZGG-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H12.2HI.Ti/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h1-11,15H;2*1H;/q;;;+2/p-2.
What are the key properties of diiodotitanium;1-phenyl-1H-indene?
diiodotitanium;1-phenyl-1H-indene has a molecular weight of 493.94 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diiodotitanium;1-phenyl-1H-indene is sourced from PubChem (CID 174711312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).