15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene

C6H12Cl2N3O4P3 — CID 23417879

IUPAC15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene
SMILESClP1(Cl)=NP2(=NP3(=N1)OCCCO3)OCCCO2
InChIInChI=1S/C6H12Cl2N3O4P3/c7-16(8)9-17(12-3-1-4-13-17)11-18(10-16)14-5-2-6-15-18/h1-6H2
InChIKeyBJEIJVLBRKOFGE-UHFFFAOYSA-N
MW354.01 g/mol
LogP5.19
Rot. Bonds

About 15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene

15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene (PubChem CID 23417879) has the molecular formula C6H12Cl2N3O4P3 and a molecular weight of 354.01 g/mol. Its IUPAC name is 15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene.

Molecular Properties

Compound Name15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene
PubChem CID23417879
Molecular FormulaC6H12Cl2N3O4P3
Molecular Weight354.01 g/mol
Exact Mass352.94
IUPAC Name15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene
SMILESClP1(Cl)=NP2(=NP3(=N1)OCCCO3)OCCCO2
InChIInChI=1S/C6H12Cl2N3O4P3/c7-16(8)9-17(12-3-1-4-13-17)11-18(10-16)14-5-2-6-15-18/h1-6H2
InChIKeyBJEIJVLBRKOFGE-UHFFFAOYSA-N
XLogP5.19
TPSA74.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.01
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene?
The IUPAC name of 15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene (CID 23417879) is 15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene.
What is the SMILES notation for 15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene?
The canonical SMILES for 15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene is ClP1(Cl)=NP2(=NP3(=N1)OCCCO3)OCCCO2.
What is the InChIKey of 15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene?
The InChIKey is BJEIJVLBRKOFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2N3O4P3/c7-16(8)9-17(12-3-1-4-13-17)11-18(10-16)14-5-2-6-15-18/h1-6H2.
What are the key properties of 15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene?
15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene has a molecular weight of 354.01 g/mol, XLogP of 5.19, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene is sourced from PubChem (CID 23417879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).