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

C48H38N4O4 — CID 139176331

IUPAC4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;quinoxaline
SMILESOc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1.c1ccc2nccnc2c1.c1ccc2nccnc2c1
InChIInChI=1S/C32H26O4.2C8H6N2/c33-27-13-5-23(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;2*1-2-4-8-7(3-1)9-5-6-10-8/h1-20,31-36H;2*1-6H
InChIKeyCDNSAJMSDXJSHU-UHFFFAOYSA-N
MW734.86 g/mol
LogP10.13
Rot. Bonds6

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

4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;quinoxaline (PubChem CID 139176331) has the molecular formula C48H38N4O4 and a molecular weight of 734.86 g/mol. Its IUPAC name is 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;quinoxaline.

Molecular Properties

Compound Name4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;quinoxaline
PubChem CID139176331
Molecular FormulaC48H38N4O4
Molecular Weight734.86 g/mol
Exact Mass734.29
IUPAC Name4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;quinoxaline
SMILESOc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1.c1ccc2nccnc2c1.c1ccc2nccnc2c1
InChIInChI=1S/C32H26O4.2C8H6N2/c33-27-13-5-23(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;2*1-2-4-8-7(3-1)9-5-6-10-8/h1-20,31-36H;2*1-6H
InChIKeyCDNSAJMSDXJSHU-UHFFFAOYSA-N
XLogP10.13
TPSA132.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.86
LogP ≤ 510.13
H-Bond Donors ≤ 54
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;quinoxaline?
The IUPAC name of 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;quinoxaline (CID 139176331) is 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;quinoxaline.
What is the SMILES notation for 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;quinoxaline?
The canonical SMILES for 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;quinoxaline is Oc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1.c1ccc2nccnc2c1.c1ccc2nccnc2c1.
What is the InChIKey of 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;quinoxaline?
The InChIKey is CDNSAJMSDXJSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O4.2C8H6N2/c33-27-13-5-23(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;2*1-2-4-8-7(3-1)9-5-6-10-8/h1-20,31-36H;2*1-6H.
What are the key properties of 4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;quinoxaline?
4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;quinoxaline has a molecular weight of 734.86 g/mol, XLogP of 10.13, 6 rotatable bonds, 4 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;quinoxaline is sourced from PubChem (CID 139176331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).