phenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate

C42H39O4P — CID 152574581

IUPACphenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate
SMILESCC(c1ccccc1)c1cc(C(C)c2ccccc2)c(-c2ccccc2OP(=O)(O)Oc2ccccc2)c(C(C)c2ccccc2)c1
InChIInChI=1S/C42H39O4P/c1-30(33-18-8-4-9-19-33)36-28-39(31(2)34-20-10-5-11-21-34)42(40(29-36)32(3)35-22-12-6-13-23-35)38-26-16-17-27-41(38)46-47(43,44)45-37-24-14-7-15-25-37/h4-32H,1-3H3,(H,43,44)
InChIKeyYSEXSYBTWFHXDS-UHFFFAOYSA-N
MW638.74 g/mol
LogP11.37
Rot. Bonds11

About phenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate

phenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate (PubChem CID 152574581) has the molecular formula C42H39O4P and a molecular weight of 638.74 g/mol. Its IUPAC name is phenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate.

Molecular Properties

Compound Namephenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate
PubChem CID152574581
Molecular FormulaC42H39O4P
Molecular Weight638.74 g/mol
Exact Mass638.26
IUPAC Namephenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate
SMILESCC(c1ccccc1)c1cc(C(C)c2ccccc2)c(-c2ccccc2OP(=O)(O)Oc2ccccc2)c(C(C)c2ccccc2)c1
InChIInChI=1S/C42H39O4P/c1-30(33-18-8-4-9-19-33)36-28-39(31(2)34-20-10-5-11-21-34)42(40(29-36)32(3)35-22-12-6-13-23-35)38-26-16-17-27-41(38)46-47(43,44)45-37-24-14-7-15-25-37/h4-32H,1-3H3,(H,43,44)
InChIKeyYSEXSYBTWFHXDS-UHFFFAOYSA-N
XLogP11.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.74
LogP ≤ 511.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl (2-phenylphenyl) hydrogen phosphate
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diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
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diphenyl hydrogen phosphate;silane
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chloroform;diphenyl hydrogen phosphate
CID 174899919
[2-(3-ethoxy-2,6-dimethyl-4-pyridinyl)phenyl] phenyl hydrogen phosphate
CID 142729046
tris[4-(1-phenylethyl)phenyl] phosphate
CID 519343
2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate
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[4-[3,4-di(propan-2-yl)phenyl]phenyl] phenyl hydrogen phosphate
CID 141416214
2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate
CID 22978799
[4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate
CID 140973737
bis(2,6-dibenzhydryl-4-propan-2-ylphenyl) hydrogen phosphate;dihydrate
CID 139189158

Frequently Asked Questions

What is the IUPAC name of phenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate?
The IUPAC name of phenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate (CID 152574581) is phenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate.
What is the SMILES notation for phenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate?
The canonical SMILES for phenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate is CC(c1ccccc1)c1cc(C(C)c2ccccc2)c(-c2ccccc2OP(=O)(O)Oc2ccccc2)c(C(C)c2ccccc2)c1.
What is the InChIKey of phenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate?
The InChIKey is YSEXSYBTWFHXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39O4P/c1-30(33-18-8-4-9-19-33)36-28-39(31(2)34-20-10-5-11-21-34)42(40(29-36)32(3)35-22-12-6-13-23-35)38-26-16-17-27-41(38)46-47(43,44)45-37-24-14-7-15-25-37/h4-32H,1-3H3,(H,43,44).
What are the key properties of phenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate?
phenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate has a molecular weight of 638.74 g/mol, XLogP of 11.37, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate is sourced from PubChem (CID 152574581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).