4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]propan-2-yl]phenol

C63H60N3O9P3 — CID 177433190

About 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]propan-2-yl]phenol

4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]propan-2-yl]phenol (PubChem CID 177433190) has the molecular formula C63H60N3O9P3 and a molecular weight of 1096.11 g/mol. Its IUPAC name is 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]propan-2-yl]phenol.

Molecular Properties

• Compound Name: 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]propan-2-yl]phenol
• PubChem CID: 177433190
• Molecular Formula: C63H60N3O9P3
• Molecular Weight: 1096.11 g/mol
• Exact Mass: 1095.35
• IUPAC Name: 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]propan-2-yl]phenol
• SMILES: CC(C)(c1ccc(O)cc1)c1ccc(OP2(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)=NP(Oc3ccccc3)(Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)=N2)cc1
• InChI: InChI=1S/C63H60N3O9P3/c1-61(2,46-22-34-52(67)35-23-46)49-28-40-58(41-29-49)73-76(70-55-16-10-7-11-17-55)64-77(71-56-18-12-8-13-19-56,74-59-42-30-50(31-43-59)62(3,4)47-24-36-53(68)37-25-47)66-78(65-76,72-57-20-14-9-15-21-57)75-60-44-32-51(33-45-60)63(5,6)48-26-38-54(69)39-27-48/h7-45,67-69H,1-6H3
• InChIKey: SBWDKJISRFHGMT-UHFFFAOYSA-N
• XLogP: 18.41
• TPSA: 153.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1096.11
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]propan-2-yl]phenol?

The IUPAC name of 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]propan-2-yl]phenol (CID 177433190) is 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]propan-2-yl]phenol.

What is the SMILES notation for 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]propan-2-yl]phenol?

The canonical SMILES for 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(OP2(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)=NP(Oc3ccccc3)(Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)=N2)cc1.

What is the InChIKey of 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]propan-2-yl]phenol?

The InChIKey is SBWDKJISRFHGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H60N3O9P3/c1-61(2,46-22-34-52(67)35-23-46)49-28-40-58(41-29-49)73-76(70-55-16-10-7-11-17-55)64-77(71-56-18-12-8-13-19-56,74-59-42-30-50(31-43-59)62(3,4)47-24-36-53(68)37-25-47)66-78(65-76,72-57-20-14-9-15-21-57)75-60-44-32-51(33-45-60)63(5,6)48-26-38-54(69)39-27-48/h7-45,67-69H,1-6H3.

What are the key properties of 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]propan-2-yl]phenol?

4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]propan-2-yl]phenol has a molecular weight of 1096.11 g/mol, XLogP of 18.41, 18 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]propan-2-yl]phenol is sourced from PubChem (CID 177433190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).