2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol

C62H46O7 — CID 126693552

IUPAC2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol
SMILESOc1ccc(-c2cccc(C(c3ccc(-c4ccc(C(c5cc(-c6ccc(O)cc6)ccc5O)c5cc(-c6ccc(O)cc6)ccc5O)cc4)cc3)c3cc(-c4ccc(O)cc4)ccc3O)c2)cc1
InChIInChI=1S/C62H46O7/c63-51-23-12-40(13-24-51)46-2-1-3-50(34-46)61(55-35-47(20-31-58(55)67)41-14-25-52(64)26-15-41)44-8-4-38(5-9-44)39-6-10-45(11-7-39)62(56-36-48(21-32-59(56)68)42-16-27-53(65)28-17-42)57-37-49(22-33-60(57)69)43-18-29-54(66)30-19-43/h1-37,61-69H
InChIKeyXATLQHPHDRANEK-UHFFFAOYSA-N
MW903.04 g/mol
LogP14.32
Rot. Bonds11

About 2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol

2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol (PubChem CID 126693552) has the molecular formula C62H46O7 and a molecular weight of 903.04 g/mol. Its IUPAC name is 2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol
PubChem CID126693552
Molecular FormulaC62H46O7
Molecular Weight903.04 g/mol
Exact Mass902.32
IUPAC Name2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol
SMILESOc1ccc(-c2cccc(C(c3ccc(-c4ccc(C(c5cc(-c6ccc(O)cc6)ccc5O)c5cc(-c6ccc(O)cc6)ccc5O)cc4)cc3)c3cc(-c4ccc(O)cc4)ccc3O)c2)cc1
InChIInChI=1S/C62H46O7/c63-51-23-12-40(13-24-51)46-2-1-3-50(34-46)61(55-35-47(20-31-58(55)67)41-14-25-52(64)26-15-41)44-8-4-38(5-9-44)39-6-10-45(11-7-39)62(56-36-48(21-32-59(56)68)42-16-27-53(65)28-17-42)57-37-49(22-33-60(57)69)43-18-29-54(66)30-19-43/h1-37,61-69H
InChIKeyXATLQHPHDRANEK-UHFFFAOYSA-N
XLogP14.32
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500903.04
LogP ≤ 514.32
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol
CID 163458586
2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol
CID 23019022
2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane
CID 165040485
2-[(2,4-dimethylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;4-[(2,4-dimethylphenyl)-[4-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-2-(2-hydroxyphenyl)phenol;2-[(4-ethylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;4-[(4-ethylphenyl)-[4-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-2-(2-hydroxyphenyl)phenol
CID 157445165
2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol
CID 145235295
2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(5-iodofuran-2-yl)methyl]-4-(4-hydroxyphenyl)phenol
CID 126698405
4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenoxy]ethoxy]phenol
CID 142364310
2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol
CID 154613065
2-[(3E,5Z)-1-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]-4-(4-hydroxyphenyl)octa-3,5-dien-7-ynyl]-4-(4-hydroxyphenyl)phenol
CID 167172806
2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol
CID 145151869
3-(4-hydroxyphenyl)phenol;hydrobromide
CID 153382873
1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol
CID 90379061

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol?
The IUPAC name of 2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol (CID 126693552) is 2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol.
What is the SMILES notation for 2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol?
The canonical SMILES for 2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol is Oc1ccc(-c2cccc(C(c3ccc(-c4ccc(C(c5cc(-c6ccc(O)cc6)ccc5O)c5cc(-c6ccc(O)cc6)ccc5O)cc4)cc3)c3cc(-c4ccc(O)cc4)ccc3O)c2)cc1.
What is the InChIKey of 2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol?
The InChIKey is XATLQHPHDRANEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46O7/c63-51-23-12-40(13-24-51)46-2-1-3-50(34-46)61(55-35-47(20-31-58(55)67)41-14-25-52(64)26-15-41)44-8-4-38(5-9-44)39-6-10-45(11-7-39)62(56-36-48(21-32-59(56)68)42-16-27-53(65)28-17-42)57-37-49(22-33-60(57)69)43-18-29-54(66)30-19-43/h1-37,61-69H.
What are the key properties of 2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol?
2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol has a molecular weight of 903.04 g/mol, XLogP of 14.32, 11 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 126693552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).