1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene

C28H30Cl2N3O7P3 — CID 10974441

IUPAC1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene
SMILESClP12=NP(Oc3ccc4ccccc4c3)(=NP(Cl)(Oc3ccc4ccccc4c3)=N1)OCCOCCOCCOCCO2
InChIInChI=1S/C28H30Cl2N3O7P3/c29-41-31-42(30,39-27-11-9-23-5-1-3-7-25(23)21-27)33-43(32-41,40-28-12-10-24-6-2-4-8-26(24)22-28)38-20-18-36-16-14-34-13-15-35-17-19-37-41/h1-12,21-22H,13-20H2
InChIKeyAAVFAPFKXNMCFD-UHFFFAOYSA-N
MW684.39 g/mol
LogP9.88
Rot. Bonds4

About 1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene

1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene (PubChem CID 10974441) has the molecular formula C28H30Cl2N3O7P3 and a molecular weight of 684.39 g/mol. Its IUPAC name is 1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene.

Molecular Properties

Compound Name1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene
PubChem CID10974441
Molecular FormulaC28H30Cl2N3O7P3
Molecular Weight684.39 g/mol
Exact Mass683.07
IUPAC Name1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene
SMILESClP12=NP(Oc3ccc4ccccc4c3)(=NP(Cl)(Oc3ccc4ccccc4c3)=N1)OCCOCCOCCOCCO2
InChIInChI=1S/C28H30Cl2N3O7P3/c29-41-31-42(30,39-27-11-9-23-5-1-3-7-25(23)21-27)33-43(32-41,40-28-12-10-24-6-2-4-8-26(24)22-28)38-20-18-36-16-14-34-13-15-35-17-19-37-41/h1-12,21-22H,13-20H2
InChIKeyAAVFAPFKXNMCFD-UHFFFAOYSA-N
XLogP9.88
TPSA101.69 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.39
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene?
The IUPAC name of 1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene (CID 10974441) is 1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene.
What is the SMILES notation for 1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene?
The canonical SMILES for 1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene is ClP12=NP(Oc3ccc4ccccc4c3)(=NP(Cl)(Oc3ccc4ccccc4c3)=N1)OCCOCCOCCOCCO2.
What is the InChIKey of 1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene?
The InChIKey is AAVFAPFKXNMCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N3O7P3/c29-41-31-42(30,39-27-11-9-23-5-1-3-7-25(23)21-27)33-43(32-41,40-28-12-10-24-6-2-4-8-26(24)22-28)38-20-18-36-16-14-34-13-15-35-17-19-37-41/h1-12,21-22H,13-20H2.
What are the key properties of 1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene?
1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene has a molecular weight of 684.39 g/mol, XLogP of 9.88, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,17-dichloro-15,17-dinaphthalen-2-yloxy-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene is sourced from PubChem (CID 10974441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).