4,5-diiodo-9,9-dimethylxanthene

C15H12I2O — CID 10813897

IUPAC4,5-diiodo-9,9-dimethylxanthene
SMILESCC1(C)c2cccc(I)c2Oc2c(I)cccc21
InChIInChI=1S/C15H12I2O/c1-15(2)9-5-3-7-11(16)13(9)18-14-10(15)6-4-8-12(14)17/h3-8H,1-2H3
InChIKeyQICZOUIGIXPNFK-UHFFFAOYSA-N
MW462.07 g/mol
LogP5.33
Rot. Bonds

About 4,5-diiodo-9,9-dimethylxanthene

4,5-diiodo-9,9-dimethylxanthene (PubChem CID 10813897) has the molecular formula C15H12I2O and a molecular weight of 462.07 g/mol. Its IUPAC name is 4,5-diiodo-9,9-dimethylxanthene.

Molecular Properties

Compound Name4,5-diiodo-9,9-dimethylxanthene
PubChem CID10813897
Molecular FormulaC15H12I2O
Molecular Weight462.07 g/mol
Exact Mass461.90
IUPAC Name4,5-diiodo-9,9-dimethylxanthene
SMILESCC1(C)c2cccc(I)c2Oc2c(I)cccc21
InChIInChI=1S/C15H12I2O/c1-15(2)9-5-3-7-11(16)13(9)18-14-10(15)6-4-8-12(14)17/h3-8H,1-2H3
InChIKeyQICZOUIGIXPNFK-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.07
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium
CID 155935452
5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine
CID 11691431
(5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane
CID 66559430
2-(2-iodophenyl)-2-methyl-1,3-dioxolane
CID 5028728
3-[5-[3-(dimethylamino)propyl]-9,9-dimethylxanthen-4-yl]-N,N-dimethylpropan-1-amine
CID 101055302
5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene
CID 118081432
[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane
CID 168812261
[5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane
CID 20727371
[5-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-9,9-dimethylxanthen-4-yl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
CID 6421024
5,11-diiodo-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90285741
(2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 154724363
7-chloro-1-iodo-9,9-dimethylfluorene
CID 139958810

Frequently Asked Questions

What is the IUPAC name of 4,5-diiodo-9,9-dimethylxanthene?
The IUPAC name of 4,5-diiodo-9,9-dimethylxanthene (CID 10813897) is 4,5-diiodo-9,9-dimethylxanthene.
What is the SMILES notation for 4,5-diiodo-9,9-dimethylxanthene?
The canonical SMILES for 4,5-diiodo-9,9-dimethylxanthene is CC1(C)c2cccc(I)c2Oc2c(I)cccc21.
What is the InChIKey of 4,5-diiodo-9,9-dimethylxanthene?
The InChIKey is QICZOUIGIXPNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12I2O/c1-15(2)9-5-3-7-11(16)13(9)18-14-10(15)6-4-8-12(14)17/h3-8H,1-2H3.
What are the key properties of 4,5-diiodo-9,9-dimethylxanthene?
4,5-diiodo-9,9-dimethylxanthene has a molecular weight of 462.07 g/mol, XLogP of 5.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diiodo-9,9-dimethylxanthene is sourced from PubChem (CID 10813897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).