4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenol

C48H45N3O6 — CID 56842968

IUPAC4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(Oc2nc(Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)nc(Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)n2)cc1
InChIInChI=1S/C48H45N3O6/c1-46(2,31-7-19-37(52)20-8-31)34-13-25-40(26-14-34)55-43-49-44(56-41-27-15-35(16-28-41)47(3,4)32-9-21-38(53)22-10-32)51-45(50-43)57-42-29-17-36(18-30-42)48(5,6)33-11-23-39(54)24-12-33/h7-30,52-54H,1-6H3
InChIKeyOURVIAHGSIYRHG-UHFFFAOYSA-N
MW759.90 g/mol
LogP11.34
Rot. Bonds12

About 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenol

4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenol (PubChem CID 56842968) has the molecular formula C48H45N3O6 and a molecular weight of 759.90 g/mol. Its IUPAC name is 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenol
PubChem CID56842968
Molecular FormulaC48H45N3O6
Molecular Weight759.90 g/mol
Exact Mass759.33
IUPAC Name4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(Oc2nc(Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)nc(Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)n2)cc1
InChIInChI=1S/C48H45N3O6/c1-46(2,31-7-19-37(52)20-8-31)34-13-25-40(26-14-34)55-43-49-44(56-41-27-15-35(16-28-41)47(3,4)32-9-21-38(53)22-10-32)51-45(50-43)57-42-29-17-36(18-30-42)48(5,6)33-11-23-39(54)24-12-33/h7-30,52-54H,1-6H3
InChIKeyOURVIAHGSIYRHG-UHFFFAOYSA-N
XLogP11.34
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.90
LogP ≤ 511.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-1,3,5-triazin-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]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenol (CID 56842968) is 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-1,3,5-triazin-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]-1,3,5-triazin-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]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(Oc2nc(Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)nc(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]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenol?
The InChIKey is OURVIAHGSIYRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H45N3O6/c1-46(2,31-7-19-37(52)20-8-31)34-13-25-40(26-14-34)55-43-49-44(56-41-27-15-35(16-28-41)47(3,4)32-9-21-38(53)22-10-32)51-45(50-43)57-42-29-17-36(18-30-42)48(5,6)33-11-23-39(54)24-12-33/h7-30,52-54H,1-6H3.
What are the key properties of 4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenol?
4-[2-[4-[[4,6-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenol has a molecular weight of 759.90 g/mol, XLogP of 11.34, 12 rotatable bonds, 3 hydrogen bond donors, and 9 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]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenol is sourced from PubChem (CID 56842968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).