4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol

C59H51O4P — CID 153401513

IUPAC4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol
SMILESCc1ccc(P(Oc2ccc(C(c3ccc(O)cc3)c3ccc(C(c4ccc(O)cc4)c4ccc(O)cc4)cc3)cc2)(c2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C59H51O4P/c1-41-9-35-55(36-10-41)64(54-7-5-4-6-8-54,56-37-11-42(2)12-38-56,57-39-13-43(3)14-40-57)63-53-33-25-49(26-34-53)59(48-23-31-52(62)32-24-48)45-17-15-44(16-18-45)58(46-19-27-50(60)28-20-46)47-21-29-51(61)30-22-47/h4-40,58-62H,1-3H3
InChIKeyZBABXWUTWHQMIU-UHFFFAOYSA-N
MW855.03 g/mol
LogP12.24
Rot. Bonds12

About 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol

4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol (PubChem CID 153401513) has the molecular formula C59H51O4P and a molecular weight of 855.03 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol
PubChem CID153401513
Molecular FormulaC59H51O4P
Molecular Weight855.03 g/mol
Exact Mass854.35
IUPAC Name4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol
SMILESCc1ccc(P(Oc2ccc(C(c3ccc(O)cc3)c3ccc(C(c4ccc(O)cc4)c4ccc(O)cc4)cc3)cc2)(c2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C59H51O4P/c1-41-9-35-55(36-10-41)64(54-7-5-4-6-8-54,56-37-11-42(2)12-38-56,57-39-13-43(3)14-40-57)63-53-33-25-49(26-34-53)59(48-23-31-52(62)32-24-48)45-17-15-44(16-18-45)58(46-19-27-50(60)28-20-46)47-21-29-51(61)30-22-47/h4-40,58-62H,1-3H3
InChIKeyZBABXWUTWHQMIU-UHFFFAOYSA-N
XLogP12.24
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.03
LogP ≤ 512.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol
CID 634278
Phosphoric acid, P,P'-((1-methylethylidene)di-4,1-phenylene) P,P,P',P'-tetraphenyl ester
CID 9874825
Bisphenol P
CID 630355
Tetrakis(2,4-di-tert-butylphenyl) (1,1-biphenyl)-4,4'-diylbisphosphonite
CID 93207
Phenol, 4,4',4'',4'''-(1,2-ethanediylidene)tetrakis-
CID 82180
Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-cyclohexyl-5-methyl-
CID 14228559
Phosphonium, triphenyl(phenylmethyl)-, salt with 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[phenol] (1:1)
CID 44148777
4,4'-Isopropylidenebis(2-tert-butylphenol) bis(4-nonylphenyl) phosphite
CID 88417
1,3,5-Tris(4-hydroxyphenyl)benzene
CID 348148
4,4',4''-Methylidynetrisphenol
CID 69047
Phosphoric acid, (1-methyl-1-phenylethyl)phenyl nonylphenyl phenyl ester
CID 91684
Bis(4-hydroxyphenyl)diphenylmethane
CID 232881

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol?
The IUPAC name of 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol (CID 153401513) is 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol?
The canonical SMILES for 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol is Cc1ccc(P(Oc2ccc(C(c3ccc(O)cc3)c3ccc(C(c4ccc(O)cc4)c4ccc(O)cc4)cc3)cc2)(c2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol?
The InChIKey is ZBABXWUTWHQMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H51O4P/c1-41-9-35-55(36-10-41)64(54-7-5-4-6-8-54,56-37-11-42(2)12-38-56,57-39-13-43(3)14-40-57)63-53-33-25-49(26-34-53)59(48-23-31-52(62)32-24-48)45-17-15-44(16-18-45)58(46-19-27-50(60)28-20-46)47-21-29-51(61)30-22-47/h4-40,58-62H,1-3H3.
What are the key properties of 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol?
4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol has a molecular weight of 855.03 g/mol, XLogP of 12.24, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol is sourced from PubChem (CID 153401513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).