4-[[2-[4-[bis(2-hydroxyphenyl)-phenylmethyl]phenoxy]-4-hydroxyphenyl]-diphenylmethyl]benzene-1,3-diol

C50H38O6 — CID 166761359

IUPAC4-[[2-[4-[bis(2-hydroxyphenyl)-phenylmethyl]phenoxy]-4-hydroxyphenyl]-diphenylmethyl]benzene-1,3-diol
SMILESOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)cc2Oc2ccc(C(c3ccccc3)(c3ccccc3O)c3ccccc3O)cc2)c(O)c1
InChIInChI=1S/C50H38O6/c51-38-26-30-43(47(55)32-38)50(35-16-6-2-7-17-35,36-18-8-3-9-19-36)44-31-27-39(52)33-48(44)56-40-28-24-37(25-29-40)49(34-14-4-1-5-15-34,41-20-10-12-22-45(41)53)42-21-11-13-23-46(42)54/h1-33,51-55H
InChIKeyWTIKIWFRVKLDFA-UHFFFAOYSA-N
MW734.85 g/mol
LogP10.77
Rot. Bonds10

About 4-[[2-[4-[bis(2-hydroxyphenyl)-phenylmethyl]phenoxy]-4-hydroxyphenyl]-diphenylmethyl]benzene-1,3-diol

4-[[2-[4-[bis(2-hydroxyphenyl)-phenylmethyl]phenoxy]-4-hydroxyphenyl]-diphenylmethyl]benzene-1,3-diol (PubChem CID 166761359) has the molecular formula C50H38O6 and a molecular weight of 734.85 g/mol. Its IUPAC name is 4-[[2-[4-[bis(2-hydroxyphenyl)-phenylmethyl]phenoxy]-4-hydroxyphenyl]-diphenylmethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[2-[4-[bis(2-hydroxyphenyl)-phenylmethyl]phenoxy]-4-hydroxyphenyl]-diphenylmethyl]benzene-1,3-diol
PubChem CID166761359
Molecular FormulaC50H38O6
Molecular Weight734.85 g/mol
Exact Mass734.27
IUPAC Name4-[[2-[4-[bis(2-hydroxyphenyl)-phenylmethyl]phenoxy]-4-hydroxyphenyl]-diphenylmethyl]benzene-1,3-diol
SMILESOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)cc2Oc2ccc(C(c3ccccc3)(c3ccccc3O)c3ccccc3O)cc2)c(O)c1
InChIInChI=1S/C50H38O6/c51-38-26-30-43(47(55)32-38)50(35-16-6-2-7-17-35,36-18-8-3-9-19-36)44-31-27-39(52)33-48(44)56-40-28-24-37(25-29-40)49(34-14-4-1-5-15-34,41-20-10-12-22-45(41)53)42-21-11-13-23-46(42)54/h1-33,51-55H
InChIKeyWTIKIWFRVKLDFA-UHFFFAOYSA-N
XLogP10.77
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.85
LogP ≤ 510.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

CID 175980360
CID 175980360
2-[4-(2-phenylpropan-2-yl)phenoxy]phenol
CID 57058375
4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol
CID 139938730
2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol
CID 174418680
3-phenoxybenzene-1,2-diol;4-phenoxybenzene-1,3-diol
CID 70468800
[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone
CID 90444002
4-[1-(4-hydroxy-3-methylphenyl)-1-phenylethyl]benzene-1,3-diol
CID 139838653
4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol
CID 21466174
2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
CID 21466577
[4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate
CID 89040248
[4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone
CID 59648946

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[bis(2-hydroxyphenyl)-phenylmethyl]phenoxy]-4-hydroxyphenyl]-diphenylmethyl]benzene-1,3-diol?
The IUPAC name of 4-[[2-[4-[bis(2-hydroxyphenyl)-phenylmethyl]phenoxy]-4-hydroxyphenyl]-diphenylmethyl]benzene-1,3-diol (CID 166761359) is 4-[[2-[4-[bis(2-hydroxyphenyl)-phenylmethyl]phenoxy]-4-hydroxyphenyl]-diphenylmethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[2-[4-[bis(2-hydroxyphenyl)-phenylmethyl]phenoxy]-4-hydroxyphenyl]-diphenylmethyl]benzene-1,3-diol?
The canonical SMILES for 4-[[2-[4-[bis(2-hydroxyphenyl)-phenylmethyl]phenoxy]-4-hydroxyphenyl]-diphenylmethyl]benzene-1,3-diol is Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)cc2Oc2ccc(C(c3ccccc3)(c3ccccc3O)c3ccccc3O)cc2)c(O)c1.
What is the InChIKey of 4-[[2-[4-[bis(2-hydroxyphenyl)-phenylmethyl]phenoxy]-4-hydroxyphenyl]-diphenylmethyl]benzene-1,3-diol?
The InChIKey is WTIKIWFRVKLDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38O6/c51-38-26-30-43(47(55)32-38)50(35-16-6-2-7-17-35,36-18-8-3-9-19-36)44-31-27-39(52)33-48(44)56-40-28-24-37(25-29-40)49(34-14-4-1-5-15-34,41-20-10-12-22-45(41)53)42-21-11-13-23-46(42)54/h1-33,51-55H.
What are the key properties of 4-[[2-[4-[bis(2-hydroxyphenyl)-phenylmethyl]phenoxy]-4-hydroxyphenyl]-diphenylmethyl]benzene-1,3-diol?
4-[[2-[4-[bis(2-hydroxyphenyl)-phenylmethyl]phenoxy]-4-hydroxyphenyl]-diphenylmethyl]benzene-1,3-diol has a molecular weight of 734.85 g/mol, XLogP of 10.77, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[bis(2-hydroxyphenyl)-phenylmethyl]phenoxy]-4-hydroxyphenyl]-diphenylmethyl]benzene-1,3-diol is sourced from PubChem (CID 166761359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).