(6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate

C16H12Cl2N2O7P2 — CID 16666842

IUPAC(6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate
SMILESO=P(O)(Oc1c[nH]c2cc(Cl)ccc12)OP(=O)(O)Oc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H12Cl2N2O7P2/c17-9-1-3-11-13(5-9)19-7-15(11)25-28(21,22)27-29(23,24)26-16-8-20-14-6-10(18)2-4-12(14)16/h1-8,19-20H,(H,21,22)(H,23,24)
InChIKeyZYFGUDMEKXPEKO-UHFFFAOYSA-N
MW477.13 g/mol
LogP5.63
Rot. Bonds6

About (6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate

(6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate (PubChem CID 16666842) has the molecular formula C16H12Cl2N2O7P2 and a molecular weight of 477.13 g/mol. Its IUPAC name is (6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate.

Molecular Properties

Compound Name(6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate
PubChem CID16666842
Molecular FormulaC16H12Cl2N2O7P2
Molecular Weight477.13 g/mol
Exact Mass475.95
IUPAC Name(6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate
SMILESO=P(O)(Oc1c[nH]c2cc(Cl)ccc12)OP(=O)(O)Oc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H12Cl2N2O7P2/c17-9-1-3-11-13(5-9)19-7-15(11)25-28(21,22)27-29(23,24)26-16-8-20-14-6-10(18)2-4-12(14)16/h1-8,19-20H,(H,21,22)(H,23,24)
InChIKeyZYFGUDMEKXPEKO-UHFFFAOYSA-N
XLogP5.63
TPSA133.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.13
LogP ≤ 55.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate 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

(6-carbamoyl-1H-indol-3-yl) dihydrogen phosphate
CID 67724966
6-chloro-1H-indole-3-carbaldehyde
CID 12614669
6-chloro-1H-indole-3-carboxamide
CID 130666489
CID 170645729
CID 170645729
(2S,3R,4S,5S)-2-[(6-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol
CID 70183599
2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
CID 22556709
2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113209736
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137208298
2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 24801955
3-(6-chloro-1H-indol-3-yl)-2-iodopropanoic acid
CID 121353891

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate?
The IUPAC name of (6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate (CID 16666842) is (6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate.
What is the SMILES notation for (6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate?
The canonical SMILES for (6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate is O=P(O)(Oc1c[nH]c2cc(Cl)ccc12)OP(=O)(O)Oc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of (6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate?
The InChIKey is ZYFGUDMEKXPEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O7P2/c17-9-1-3-11-13(5-9)19-7-15(11)25-28(21,22)27-29(23,24)26-16-8-20-14-6-10(18)2-4-12(14)16/h1-8,19-20H,(H,21,22)(H,23,24).
What are the key properties of (6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate?
(6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate has a molecular weight of 477.13 g/mol, XLogP of 5.63, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indol-3-yl) [(6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl] hydrogen phosphate is sourced from PubChem (CID 16666842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).