2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2-hydroxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;4-[[2,4,4,6,6-pentakis(4-hydroxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenol;2,2,4,4,6-pentapropoxy-1,3,5-triaza-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,3,5-triene;propan-1-ol

C114H124ClN12O29P12+ — CID 157261657

About 2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2-hydroxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;4-[[2,4,4,6,6-pentakis(4-hydroxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenol;2,2,4,4,6-pentapropoxy-1,3,5-triaza-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,3,5-triene;propan-1-ol

2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2-hydroxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;4-[[2,4,4,6,6-pentakis(4-hydroxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenol;2,2,4,4,6-pentapropoxy-1,3,5-triaza-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,3,5-triene;propan-1-ol (PubChem CID 157261657) has the molecular formula C114H124ClN12O29P12+ and a molecular weight of 2533.44 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-hydroxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;4-[[2,4,4,6,6-pentakis(4-hydroxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenol;2,2,4,4,6-pentapropoxy-1,3,5-triaza-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,3,5-triene;propan-1-ol.

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-hydroxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;4-[[2,4,4,6,6-pentakis(4-hydroxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenol;2,2,4,4,6-pentapropoxy-1,3,5-triaza-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,3,5-triene;propan-1-ol
• PubChem CID: 157261657
• Molecular Formula: C114H124ClN12O29P12+
• Molecular Weight: 2533.44 g/mol
• Exact Mass: 2531.51
• IUPAC Name: 2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2-hydroxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;4-[[2,4,4,6,6-pentakis(4-hydroxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenol;2,2,4,4,6-pentapropoxy-1,3,5-triaza-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,3,5-triene;propan-1-ol
• SMILES: CCCO.CCCO[P+]1=NP(OCCC)(OCCC)=NP(OCCC)(OCCC)=N1.ClP1(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=N1.OP1(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=N1.Oc1ccc(OP2(Oc3ccc(O)cc3)=NP(Oc3ccc(O)cc3)(Oc3ccc(O)cc3)=NP(Oc3ccc(O)cc3)(Oc3ccc(O)cc3)=N2)cc1
• InChI: InChI=1S/C36H30N3O12P3.C30H25ClN3O5P3.C30H26N3O6P3.C15H35N3O5P3.C3H8O/c40-25-1-13-31(14-2-25)46-52(47-32-15-3-26(41)4-16-32)37-53(48-33-17-5-27(42)6-18-33,49-34-19-7-28(43)8-20-34)39-54(38-52,50-35-21-9-29(44)10-22-35)51-36-23-11-30(45)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;34-40(35-26-16-6-1-7-17-26)31-41(36-27-18-8-2-9-19-27,37-28-20-10-3-11-21-28)33-42(32-40,38-29-22-12-4-13-23-29)39-30-24-14-5-15-25-30;1-6-11-19-24-16-25(20-12-7-2,21-13-8-3)18-26(17-24,22-14-9-4)23-15-10-5;1-2-3-4/h1-24,40-45H;1-25H;1-25,34H;6-15H2,1-5H3;4H,2-3H2,1H3/q;;;+1
• InChIKey: OOODCUWWRJDXJD-UHFFFAOYSA-N
• XLogP: 40.15
• TPSA: 503.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 48
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2533.44
LogP ≤ 5	40.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

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-hydroxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;4-[[2,4,4,6,6-pentakis(4-hydroxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenol;2,2,4,4,6-pentapropoxy-1,3,5-triaza-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,3,5-triene;propan-1-ol?

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-hydroxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;4-[[2,4,4,6,6-pentakis(4-hydroxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenol;2,2,4,4,6-pentapropoxy-1,3,5-triaza-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,3,5-triene;propan-1-ol (CID 157261657) is 2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2-hydroxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;4-[[2,4,4,6,6-pentakis(4-hydroxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenol;2,2,4,4,6-pentapropoxy-1,3,5-triaza-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,3,5-triene;propan-1-ol.

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-hydroxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;4-[[2,4,4,6,6-pentakis(4-hydroxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenol;2,2,4,4,6-pentapropoxy-1,3,5-triaza-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,3,5-triene;propan-1-ol?

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-hydroxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;4-[[2,4,4,6,6-pentakis(4-hydroxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenol;2,2,4,4,6-pentapropoxy-1,3,5-triaza-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,3,5-triene;propan-1-ol is CCCO.CCCO[P+]1=NP(OCCC)(OCCC)=NP(OCCC)(OCCC)=N1.ClP1(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=N1.OP1(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=N1.Oc1ccc(OP2(Oc3ccc(O)cc3)=NP(Oc3ccc(O)cc3)(Oc3ccc(O)cc3)=NP(Oc3ccc(O)cc3)(Oc3ccc(O)cc3)=N2)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-hydroxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;4-[[2,4,4,6,6-pentakis(4-hydroxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenol;2,2,4,4,6-pentapropoxy-1,3,5-triaza-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,3,5-triene;propan-1-ol?

The InChIKey is OOODCUWWRJDXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N3O12P3.C30H25ClN3O5P3.C30H26N3O6P3.C15H35N3O5P3.C3H8O/c40-25-1-13-31(14-2-25)46-52(47-32-15-3-26(41)4-16-32)37-53(48-33-17-5-27(42)6-18-33,49-34-19-7-28(43)8-20-34)39-54(38-52,50-35-21-9-29(44)10-22-35)51-36-23-11-30(45)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;34-40(35-26-16-6-1-7-17-26)31-41(36-27-18-8-2-9-19-27,37-28-20-10-3-11-21-28)33-42(32-40,38-29-22-12-4-13-23-29)39-30-24-14-5-15-25-30;1-6-11-19-24-16-25(20-12-7-2,21-13-8-3)18-26(17-24,22-14-9-4)23-15-10-5;1-2-3-4/h1-24,40-45H;1-25H;1-25,34H;6-15H2,1-5H3;4H,2-3H2,1H3/q;;;+1;.

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-hydroxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;4-[[2,4,4,6,6-pentakis(4-hydroxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenol;2,2,4,4,6-pentapropoxy-1,3,5-triaza-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,3,5-triene;propan-1-ol?

2-chloro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;2-hydroxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;4-[[2,4,4,6,6-pentakis(4-hydroxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenol;2,2,4,4,6-pentapropoxy-1,3,5-triaza-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,3,5-triene;propan-1-ol has a molecular weight of 2533.44 g/mol, XLogP of 40.15, 48 rotatable bonds, 8 hydrogen bond donors, and 40 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-hydroxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;4-[[2,4,4,6,6-pentakis(4-hydroxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenol;2,2,4,4,6-pentapropoxy-1,3,5-triaza-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,3,5-triene;propan-1-ol is sourced from PubChem (CID 157261657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).