15,15-dichloro-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene

C6H16Cl2N7P3 — CID 12688883

IUPAC15,15-dichloro-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene
SMILESClP1(Cl)=NP2(=NP3(=N1)NCCCN3)NCCCN2
InChIInChI=1S/C6H16Cl2N7P3/c7-16(8)13-17(9-3-1-4-10-17)15-18(14-16)11-5-2-6-12-18/h9-12H,1-6H2
InChIKeyNOUWBEUYUTXGRC-UHFFFAOYSA-N
MW350.07 g/mol
LogP3.48
Rot. Bonds

About 15,15-dichloro-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene

15,15-dichloro-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene (PubChem CID 12688883) has the molecular formula C6H16Cl2N7P3 and a molecular weight of 350.07 g/mol. Its IUPAC name is 15,15-dichloro-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene.

Molecular Properties

Compound Name15,15-dichloro-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene
PubChem CID12688883
Molecular FormulaC6H16Cl2N7P3
Molecular Weight350.07 g/mol
Exact Mass349.01
IUPAC Name15,15-dichloro-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene
SMILESClP1(Cl)=NP2(=NP3(=N1)NCCCN3)NCCCN2
InChIInChI=1S/C6H16Cl2N7P3/c7-16(8)13-17(9-3-1-4-10-17)15-18(14-16)11-5-2-6-12-18/h9-12H,1-6H2
InChIKeyNOUWBEUYUTXGRC-UHFFFAOYSA-N
XLogP3.48
TPSA85.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.07
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 15,15-dichloro-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-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-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene?
The IUPAC name of 15,15-dichloro-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene (CID 12688883) is 15,15-dichloro-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene.
What is the SMILES notation for 15,15-dichloro-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene?
The canonical SMILES for 15,15-dichloro-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene is ClP1(Cl)=NP2(=NP3(=N1)NCCCN3)NCCCN2.
What is the InChIKey of 15,15-dichloro-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene?
The InChIKey is NOUWBEUYUTXGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16Cl2N7P3/c7-16(8)13-17(9-3-1-4-10-17)15-18(14-16)11-5-2-6-12-18/h9-12H,1-6H2.
What are the key properties of 15,15-dichloro-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene?
15,15-dichloro-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene has a molecular weight of 350.07 g/mol, XLogP of 3.48, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dichloro-1,5,7,9,13,14,16-heptaza-6lambda5,8lambda5,15lambda5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene is sourced from PubChem (CID 12688883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).