tris(1-chloroindol-3-yl) phosphate

C24H15Cl3N3O4P — CID 18366450

IUPACtris(1-chloroindol-3-yl) phosphate
SMILESO=P(Oc1cn(Cl)c2ccccc12)(Oc1cn(Cl)c2ccccc12)Oc1cn(Cl)c2ccccc12
InChIInChI=1S/C24H15Cl3N3O4P/c25-28-13-22(16-7-1-4-10-19(16)28)32-35(31,33-23-14-29(26)20-11-5-2-8-17(20)23)34-24-15-30(27)21-12-6-3-9-18(21)24/h1-15H
InChIKeyLXDXLHOTGADORC-UHFFFAOYSA-N
MW546.73 g/mol
LogP8.20
Rot. Bonds6

About tris(1-chloroindol-3-yl) phosphate

tris(1-chloroindol-3-yl) phosphate (PubChem CID 18366450) has the molecular formula C24H15Cl3N3O4P and a molecular weight of 546.73 g/mol. Its IUPAC name is tris(1-chloroindol-3-yl) phosphate.

Molecular Properties

Compound Nametris(1-chloroindol-3-yl) phosphate
PubChem CID18366450
Molecular FormulaC24H15Cl3N3O4P
Molecular Weight546.73 g/mol
Exact Mass544.99
IUPAC Nametris(1-chloroindol-3-yl) phosphate
SMILESO=P(Oc1cn(Cl)c2ccccc12)(Oc1cn(Cl)c2ccccc12)Oc1cn(Cl)c2ccccc12
InChIInChI=1S/C24H15Cl3N3O4P/c25-28-13-22(16-7-1-4-10-19(16)28)32-35(31,33-23-14-29(26)20-11-5-2-8-17(20)23)34-24-15-30(27)21-12-6-3-9-18(21)24/h1-15H
InChIKeyLXDXLHOTGADORC-UHFFFAOYSA-N
XLogP8.20
TPSA59.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.73
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(1-chloroindol-3-yl) phosphate?
The IUPAC name of tris(1-chloroindol-3-yl) phosphate (CID 18366450) is tris(1-chloroindol-3-yl) phosphate.
What is the SMILES notation for tris(1-chloroindol-3-yl) phosphate?
The canonical SMILES for tris(1-chloroindol-3-yl) phosphate is O=P(Oc1cn(Cl)c2ccccc12)(Oc1cn(Cl)c2ccccc12)Oc1cn(Cl)c2ccccc12.
What is the InChIKey of tris(1-chloroindol-3-yl) phosphate?
The InChIKey is LXDXLHOTGADORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl3N3O4P/c25-28-13-22(16-7-1-4-10-19(16)28)32-35(31,33-23-14-29(26)20-11-5-2-8-17(20)23)34-24-15-30(27)21-12-6-3-9-18(21)24/h1-15H.
What are the key properties of tris(1-chloroindol-3-yl) phosphate?
tris(1-chloroindol-3-yl) phosphate has a molecular weight of 546.73 g/mol, XLogP of 8.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-chloroindol-3-yl) phosphate is sourced from PubChem (CID 18366450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).