4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol

C85H76O8 — CID 139642251

IUPAC4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol
SMILESCC(Cc1ccccc1)(c1ccc(O)cc1)c1ccc(OC(Oc2ccc(C(C)(Cc3ccccc3)c3ccc(O)cc3)cc2)(Oc2ccc(C(C)(Cc3ccccc3)c3ccc(O)cc3)cc2)Oc2ccc(C(C)(Cc3ccccc3)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C85H76O8/c1-81(57-61-17-9-5-10-18-61,65-25-41-73(86)42-26-65)69-33-49-77(50-34-69)90-85(91-78-51-35-70(36-52-78)82(2,58-62-19-11-6-12-20-62)66-27-43-74(87)44-28-66,92-79-53-37-71(38-54-79)83(3,59-63-21-13-7-14-22-63)67-29-45-75(88)46-30-67)93-80-55-39-72(40-56-80)84(4,60-64-23-15-8-16-24-64)68-31-47-76(89)48-32-68/h5-56,86-89H,57-60H2,1-4H3
InChIKeyUXEJSZJOFXALJD-UHFFFAOYSA-N
MW1225.54 g/mol
LogP18.93
Rot. Bonds24

About 4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol

4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol (PubChem CID 139642251) has the molecular formula C85H76O8 and a molecular weight of 1225.54 g/mol. Its IUPAC name is 4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol
PubChem CID139642251
Molecular FormulaC85H76O8
Molecular Weight1225.54 g/mol
Exact Mass1224.55
IUPAC Name4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol
SMILESCC(Cc1ccccc1)(c1ccc(O)cc1)c1ccc(OC(Oc2ccc(C(C)(Cc3ccccc3)c3ccc(O)cc3)cc2)(Oc2ccc(C(C)(Cc3ccccc3)c3ccc(O)cc3)cc2)Oc2ccc(C(C)(Cc3ccccc3)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C85H76O8/c1-81(57-61-17-9-5-10-18-61,65-25-41-73(86)42-26-65)69-33-49-77(50-34-69)90-85(91-78-51-35-70(36-52-78)82(2,58-62-19-11-6-12-20-62)66-27-43-74(87)44-28-66,92-79-53-37-71(38-54-79)83(3,59-63-21-13-7-14-22-63)67-29-45-75(88)46-30-67)93-80-55-39-72(40-56-80)84(4,60-64-23-15-8-16-24-64)68-31-47-76(89)48-32-68/h5-56,86-89H,57-60H2,1-4H3
InChIKeyUXEJSZJOFXALJD-UHFFFAOYSA-N
XLogP18.93
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001225.54
LogP ≤ 518.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]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

Related Compounds

4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol
CID 67400035
2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid
CID 22261112
4-[2-(4-hydroxyphenyl)-4-phenylbutan-2-yl]phenol
CID 14250443
4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
CID 59136544
tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate
CID 139911356
[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate
CID 170110421
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol
CID 150655549
4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621
2-(4-hydroxyphenoxy)-2,3-dimethyl-4-phenylbutanoic acid
CID 70484997
4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830
4-(2-phenyloctan-2-yl)phenol
CID 174541966
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707

Frequently Asked Questions

What is the IUPAC name of 4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol?
The IUPAC name of 4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol (CID 139642251) is 4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol.
What is the SMILES notation for 4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol?
The canonical SMILES for 4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol is CC(Cc1ccccc1)(c1ccc(O)cc1)c1ccc(OC(Oc2ccc(C(C)(Cc3ccccc3)c3ccc(O)cc3)cc2)(Oc2ccc(C(C)(Cc3ccccc3)c3ccc(O)cc3)cc2)Oc2ccc(C(C)(Cc3ccccc3)c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol?
The InChIKey is UXEJSZJOFXALJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H76O8/c1-81(57-61-17-9-5-10-18-61,65-25-41-73(86)42-26-65)69-33-49-77(50-34-69)90-85(91-78-51-35-70(36-52-78)82(2,58-62-19-11-6-12-20-62)66-27-43-74(87)44-28-66,92-79-53-37-71(38-54-79)83(3,59-63-21-13-7-14-22-63)67-29-45-75(88)46-30-67)93-80-55-39-72(40-56-80)84(4,60-64-23-15-8-16-24-64)68-31-47-76(89)48-32-68/h5-56,86-89H,57-60H2,1-4H3.
What are the key properties of 4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol?
4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol has a molecular weight of 1225.54 g/mol, XLogP of 18.93, 24 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol is sourced from PubChem (CID 139642251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).