4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium

C87H75N4O2P5 — CID 174241416

IUPAC4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium
SMILESCC(C)(c1ccc([O-])cc1)c1ccc(O)cc1.c1ccc(P(=N[P+](N=P(c2ccccc2)(c2ccccc2)c2ccccc2)(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)N=P(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C72H60N4P5.C15H16O2/c1-13-37-61(38-14-1)77(62-39-15-2-16-40-62,63-41-17-3-18-42-63)73-81(74-78(64-43-19-4-20-44-64,65-45-21-5-22-46-65)66-47-23-6-24-48-66,75-79(67-49-25-7-26-50-67,68-51-27-8-28-52-68)69-53-29-9-30-54-69)76-80(70-55-31-10-32-56-70,71-57-33-11-34-58-71)72-59-35-12-36-60-72;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h1-60H;3-10,16-17H,1-2H3/q+1;/p-1
InChIKeyLUZUGKGSGZGHEM-UHFFFAOYSA-M
MW1363.45 g/mol
LogP18.17
Rot. Bonds18

About 4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium

4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium (PubChem CID 174241416) has the molecular formula C87H75N4O2P5 and a molecular weight of 1363.45 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium
PubChem CID174241416
Molecular FormulaC87H75N4O2P5
Molecular Weight1363.45 g/mol
Exact Mass1362.46
IUPAC Name4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium
SMILESCC(C)(c1ccc([O-])cc1)c1ccc(O)cc1.c1ccc(P(=N[P+](N=P(c2ccccc2)(c2ccccc2)c2ccccc2)(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)N=P(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C72H60N4P5.C15H16O2/c1-13-37-61(38-14-1)77(62-39-15-2-16-40-62,63-41-17-3-18-42-63)73-81(74-78(64-43-19-4-20-44-64,65-45-21-5-22-46-65)66-47-23-6-24-48-66,75-79(67-49-25-7-26-50-67,68-51-27-8-28-52-68)69-53-29-9-30-54-69)76-80(70-55-31-10-32-56-70,71-57-33-11-34-58-71)72-59-35-12-36-60-72;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h1-60H;3-10,16-17H,1-2H3/q+1;/p-1
InChIKeyLUZUGKGSGZGHEM-UHFFFAOYSA-M
XLogP18.17
TPSA92.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001363.45
LogP ≤ 518.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
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CID 144806756
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol
CID 67560880
4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol
CID 160835894
biphenylene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 68577534
ethane;phenol;2-phenylpropan-2-ol;4-(2-phenylpropan-2-yl)phenol
CID 158640691
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173033429
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium?
The IUPAC name of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium (CID 174241416) is 4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium is CC(C)(c1ccc([O-])cc1)c1ccc(O)cc1.c1ccc(P(=N[P+](N=P(c2ccccc2)(c2ccccc2)c2ccccc2)(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)N=P(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium?
The InChIKey is LUZUGKGSGZGHEM-UHFFFAOYSA-M. The full InChI is InChI=1S/C72H60N4P5.C15H16O2/c1-13-37-61(38-14-1)77(62-39-15-2-16-40-62,63-41-17-3-18-42-63)73-81(74-78(64-43-19-4-20-44-64,65-45-21-5-22-46-65)66-47-23-6-24-48-66,75-79(67-49-25-7-26-50-67,68-51-27-8-28-52-68)69-53-29-9-30-54-69)76-80(70-55-31-10-32-56-70,71-57-33-11-34-58-71)72-59-35-12-36-60-72;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h1-60H;3-10,16-17H,1-2H3/q+1;/p-1.
What are the key properties of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium?
4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium has a molecular weight of 1363.45 g/mol, XLogP of 18.17, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium is sourced from PubChem (CID 174241416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).