2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-fluorophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-phenylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

C138H103ClF6N9O17P9 — CID 159557068

About 2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-fluorophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-phenylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-fluorophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-phenylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (PubChem CID 159557068) has the molecular formula C138H103ClF6N9O17P9 and a molecular weight of 2587.59 g/mol. Its IUPAC name is 2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-fluorophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-phenylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

Molecular Properties

• Compound Name: 2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-fluorophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-phenylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• PubChem CID: 159557068
• Molecular Formula: C138H103ClF6N9O17P9
• Molecular Weight: 2587.59 g/mol
• Exact Mass: 2585.47
• IUPAC Name: 2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-fluorophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-phenylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• SMILES: ClP1(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=N1.Fc1ccc(OP2(Oc3ccc(F)cc3)=NP(Oc3ccc(F)cc3)(Oc3ccc(F)cc3)=NP(Oc3ccc(F)cc3)(Oc3ccc(F)cc3)=N2)cc1.c1ccc(-c2ccc(OP3(Oc4ccc(-c5ccccc5)cc4)=NP(Oc4ccc(-c5ccccc5)cc4)(Oc4ccc(-c5ccccc5)cc4)=NP(Oc4ccc(-c5ccccc5)cc4)(Oc4ccc(-c5ccccc5)cc4)=N3)cc2)cc1
• InChI: InChI=1S/C72H54N3O6P3.C36H24F6N3O6P3.C30H25ClN3O5P3/c1-7-19-55(20-8-1)61-31-43-67(44-32-61)76-82(77-68-45-33-62(34-46-68)56-21-9-2-10-22-56)73-83(78-69-47-35-63(36-48-69)57-23-11-3-12-24-57,79-70-49-37-64(38-50-70)58-25-13-4-14-26-58)75-84(74-82,80-71-51-39-65(40-52-71)59-27-15-5-16-28-59)81-72-53-41-66(42-54-72)60-29-17-6-18-30-60;37-25-1-13-31(14-2-25)46-52(47-32-15-3-26(38)4-16-32)43-53(48-33-17-5-27(39)6-18-33,49-34-19-7-28(40)8-20-34)45-54(44-52,50-35-21-9-29(41)10-22-35)51-36-23-11-30(42)12-24-36;31-40(35-26-16-6-1-7-17-26)32-41(36-27-18-8-2-9-19-27,37-28-20-10-3-11-21-28)34-42(33-40,38-29-22-12-4-13-23-29)39-30-24-14-5-15-25-30/h1-54H;1-24H;1-25H
• InChIKey: MGCZVIYIFIWUMH-UHFFFAOYSA-N
• XLogP: 46.93
• TPSA: 268.15 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 40
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2587.59
LogP ≤ 5	46.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-fluorophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-phenylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?

The IUPAC name of 2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-fluorophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-phenylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (CID 159557068) is 2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-fluorophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-phenylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

What is the SMILES notation for 2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-fluorophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-phenylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?

The canonical SMILES for 2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-fluorophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-phenylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is ClP1(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=N1.Fc1ccc(OP2(Oc3ccc(F)cc3)=NP(Oc3ccc(F)cc3)(Oc3ccc(F)cc3)=NP(Oc3ccc(F)cc3)(Oc3ccc(F)cc3)=N2)cc1.c1ccc(-c2ccc(OP3(Oc4ccc(-c5ccccc5)cc4)=NP(Oc4ccc(-c5ccccc5)cc4)(Oc4ccc(-c5ccccc5)cc4)=NP(Oc4ccc(-c5ccccc5)cc4)(Oc4ccc(-c5ccccc5)cc4)=N3)cc2)cc1.

What is the InChIKey of 2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-fluorophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-phenylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?

The InChIKey is MGCZVIYIFIWUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N3O6P3.C36H24F6N3O6P3.C30H25ClN3O5P3/c1-7-19-55(20-8-1)61-31-43-67(44-32-61)76-82(77-68-45-33-62(34-46-68)56-21-9-2-10-22-56)73-83(78-69-47-35-63(36-48-69)57-23-11-3-12-24-57,79-70-49-37-64(38-50-70)58-25-13-4-14-26-58)75-84(74-82,80-71-51-39-65(40-52-71)59-27-15-5-16-28-59)81-72-53-41-66(42-54-72)60-29-17-6-18-30-60;37-25-1-13-31(14-2-25)46-52(47-32-15-3-26(38)4-16-32)43-53(48-33-17-5-27(39)6-18-33,49-34-19-7-28(40)8-20-34)45-54(44-52,50-35-21-9-29(41)10-22-35)51-36-23-11-30(42)12-24-36;31-40(35-26-16-6-1-7-17-26)32-41(36-27-18-8-2-9-19-27,37-28-20-10-3-11-21-28)34-42(33-40,38-29-22-12-4-13-23-29)39-30-24-14-5-15-25-30/h1-54H;1-24H;1-25H.

What are the key properties of 2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-fluorophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-phenylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?

2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-fluorophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-phenylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene has a molecular weight of 2587.59 g/mol, XLogP of 46.93, 40 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-fluorophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2,2,4,4,6,6-hexakis(4-phenylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 159557068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).