[acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one

C61H42I7NO9 — CID 159276999

IUPAC[acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one
SMILESCC(=O)OI(OC(C)=O)c1ccccc1.II.Ic1ccc2c(c1)Cc1cc(I)ccc1O2.O=c1c2cc(I)ccc2oc2ccc(I)cc12.O=c1c2ccccc2oc2ccccc12.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C13H6I2O2.C13H8I2O.C13H8O2.C12H9N.C10H11IO4.I2/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)16-12;14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10;1-2/h1-6H;1-4,6-7H,5H2;1-8H;1-8,13H;3-7H,1-2H3;
InChIKeyKYKYIWJALQJEAF-UHFFFAOYSA-N
MW1821.33 g/mol
LogP19.11
Rot. Bonds3

About [acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one

[acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one (PubChem CID 159276999) has the molecular formula C61H42I7NO9 and a molecular weight of 1821.33 g/mol. Its IUPAC name is [acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one.

Molecular Properties

Compound Name[acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one
PubChem CID159276999
Molecular FormulaC61H42I7NO9
Molecular Weight1821.33 g/mol
Exact Mass1820.62
IUPAC Name[acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one
SMILESCC(=O)OI(OC(C)=O)c1ccccc1.II.Ic1ccc2c(c1)Cc1cc(I)ccc1O2.O=c1c2cc(I)ccc2oc2ccc(I)cc12.O=c1c2ccccc2oc2ccccc12.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C13H6I2O2.C13H8I2O.C13H8O2.C12H9N.C10H11IO4.I2/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)16-12;14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10;1-2/h1-6H;1-4,6-7H,5H2;1-8H;1-8,13H;3-7H,1-2H3;
InChIKeyKYKYIWJALQJEAF-UHFFFAOYSA-N
XLogP19.11
TPSA138.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001821.33
LogP ≤ 519.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one 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

2-methylxanthen-9-one;xanthen-9-one
CID 70546954
N-(9-oxoxanthen-2-yl)acetamide
CID 72793124
2-iodo-6H-indeno[2,1-b]chromen-11-one
CID 10642241
dipotassium;9H-carbazole;3-iodo-9H-carbazole;tetraiodide
CID 159826322
4-(9-oxoxanthen-2-yl)oxycyclohexane-1-carboxylic acid
CID 162656480
9H-carbazole;carbonic acid
CID 67577328
3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione
CID 164765343
2-iodo-9-oxo-10H-acridine-4-carboxylic acid
CID 59228731
2-[(Z)-1-(dimethylamino)-3-oxobut-1-en-2-yl]xanthen-9-one
CID 15643867
10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one
CID 164850216
ethane-1,2-diol;2-methoxyxanthen-9-one
CID 126598327
propane;xanthen-9-one
CID 90876458

Frequently Asked Questions

What is the IUPAC name of [acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one?
The IUPAC name of [acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one (CID 159276999) is [acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one.
What is the SMILES notation for [acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one?
The canonical SMILES for [acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one is CC(=O)OI(OC(C)=O)c1ccccc1.II.Ic1ccc2c(c1)Cc1cc(I)ccc1O2.O=c1c2cc(I)ccc2oc2ccc(I)cc12.O=c1c2ccccc2oc2ccccc12.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of [acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one?
The InChIKey is KYKYIWJALQJEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6I2O2.C13H8I2O.C13H8O2.C12H9N.C10H11IO4.I2/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)16-12;14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10;1-2/h1-6H;1-4,6-7H,5H2;1-8H;1-8,13H;3-7H,1-2H3;.
What are the key properties of [acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one?
[acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one has a molecular weight of 1821.33 g/mol, XLogP of 19.11, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one is sourced from PubChem (CID 159276999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).