tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate

C63H57O4P — CID 139911356

IUPACtris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate
SMILESCC(Cc1ccccc1)(c1ccccc1)c1ccc(OP(=O)(Oc2ccc(C(C)(Cc3ccccc3)c3ccccc3)cc2)Oc2ccc(C(C)(Cc3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C63H57O4P/c1-61(52-28-16-7-17-29-52,46-49-22-10-4-11-23-49)55-34-40-58(41-35-55)65-68(64,66-59-42-36-56(37-43-59)62(2,53-30-18-8-19-31-53)47-50-24-12-5-13-25-50)67-60-44-38-57(39-45-60)63(3,54-32-20-9-21-33-54)48-51-26-14-6-15-27-51/h4-45H,46-48H2,1-3H3
InChIKeyROHMGLVUXDYKCY-UHFFFAOYSA-N
MW909.12 g/mol
LogP15.98
Rot. Bonds18

About tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate

tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate (PubChem CID 139911356) has the molecular formula C63H57O4P and a molecular weight of 909.12 g/mol. Its IUPAC name is tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate.

Molecular Properties

Compound Nametris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate
PubChem CID139911356
Molecular FormulaC63H57O4P
Molecular Weight909.12 g/mol
Exact Mass908.40
IUPAC Nametris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate
SMILESCC(Cc1ccccc1)(c1ccccc1)c1ccc(OP(=O)(Oc2ccc(C(C)(Cc3ccccc3)c3ccccc3)cc2)Oc2ccc(C(C)(Cc3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C63H57O4P/c1-61(52-28-16-7-17-29-52,46-49-22-10-4-11-23-49)55-34-40-58(41-35-55)65-68(64,66-59-42-36-56(37-43-59)62(2,53-30-18-8-19-31-53)47-50-24-12-5-13-25-50)67-60-44-38-57(39-45-60)63(3,54-32-20-9-21-33-54)48-51-26-14-6-15-27-51/h4-45H,46-48H2,1-3H3
InChIKeyROHMGLVUXDYKCY-UHFFFAOYSA-N
XLogP15.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.12
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
CID 59136544
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol
CID 139642251
[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate
CID 170110421
4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol
CID 67400035
tris(1,2-diphenylpropan-2-yl) phosphate
CID 139725545
[4-[2-[4-[phenoxy(phenyl)phosphoryl]oxyphenyl]propan-2-yl]phenyl] diphenyl phosphate
CID 59385619
bis(4-tert-butylphenyl) naphthalen-2-yl phosphate
CID 139980260
triphenyl phosphate;hydrate
CID 66881958
1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene
CID 173399358
tris(4-phenoxyphenyl) phosphate
CID 70576220
2-methylpropane;triphenyl phosphate
CID 91193965

Frequently Asked Questions

What is the IUPAC name of tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate?
The IUPAC name of tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate (CID 139911356) is tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate.
What is the SMILES notation for tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate?
The canonical SMILES for tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate is CC(Cc1ccccc1)(c1ccccc1)c1ccc(OP(=O)(Oc2ccc(C(C)(Cc3ccccc3)c3ccccc3)cc2)Oc2ccc(C(C)(Cc3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate?
The InChIKey is ROHMGLVUXDYKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H57O4P/c1-61(52-28-16-7-17-29-52,46-49-22-10-4-11-23-49)55-34-40-58(41-35-55)65-68(64,66-59-42-36-56(37-43-59)62(2,53-30-18-8-19-31-53)47-50-24-12-5-13-25-50)67-60-44-38-57(39-45-60)63(3,54-32-20-9-21-33-54)48-51-26-14-6-15-27-51/h4-45H,46-48H2,1-3H3.
What are the key properties of tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate?
tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate has a molecular weight of 909.12 g/mol, XLogP of 15.98, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate is sourced from PubChem (CID 139911356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).