4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol

C64H52O8 — CID 139176329

IUPAC4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/2C32H26O4/c2*33-27-13-5-23(6-14-27)31(24-7-15-28(34)16-8-24)21-1-2-22(4-3-21)32(25-9-17-29(35)18-10-25)26-11-19-30(36)20-12-26/h2*1-20,31-36H
InChIKeyDVILPXJNWXUVAE-UHFFFAOYSA-N
MW949.11 g/mol
LogP13.74
Rot. Bonds12

About 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol

4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol (PubChem CID 139176329) has the molecular formula C64H52O8 and a molecular weight of 949.11 g/mol. Its IUPAC name is 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol
PubChem CID139176329
Molecular FormulaC64H52O8
Molecular Weight949.11 g/mol
Exact Mass948.37
IUPAC Name4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/2C32H26O4/c2*33-27-13-5-23(6-14-27)31(24-7-15-28(34)16-8-24)21-1-2-22(4-3-21)32(25-9-17-29(35)18-10-25)26-11-19-30(36)20-12-26/h2*1-20,31-36H
InChIKeyDVILPXJNWXUVAE-UHFFFAOYSA-N
XLogP13.74
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.11
LogP ≤ 513.74
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol (CID 139176329) is 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol is Oc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol?
The InChIKey is DVILPXJNWXUVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H26O4/c2*33-27-13-5-23(6-14-27)31(24-7-15-28(34)16-8-24)21-1-2-22(4-3-21)32(25-9-17-29(35)18-10-25)26-11-19-30(36)20-12-26/h2*1-20,31-36H.
What are the key properties of 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol?
4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol has a molecular weight of 949.11 g/mol, XLogP of 13.74, 12 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 139176329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).