[2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate

C32H27O4P — CID 68740859

IUPAC[2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate
SMILESCC(c1ccccc1OP(=O)(O)O)(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C32H27O4P/c1-32(30-22-12-13-23-31(30)36-37(33,34)35,28-20-10-8-18-26(28)24-14-4-2-5-15-24)29-21-11-9-19-27(29)25-16-6-3-7-17-25/h2-23H,1H3,(H2,33,34,35)
InChIKeyZSXFDGKAXDNCPN-UHFFFAOYSA-N
MW506.54 g/mol
LogP7.85
Rot. Bonds7

About [2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate

[2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate (PubChem CID 68740859) has the molecular formula C32H27O4P and a molecular weight of 506.54 g/mol. Its IUPAC name is [2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate
PubChem CID68740859
Molecular FormulaC32H27O4P
Molecular Weight506.54 g/mol
Exact Mass506.16
IUPAC Name[2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate
SMILESCC(c1ccccc1OP(=O)(O)O)(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C32H27O4P/c1-32(30-22-12-13-23-31(30)36-37(33,34)35,28-20-10-8-18-26(28)24-14-4-2-5-15-24)29-21-11-9-19-27(29)25-16-6-3-7-17-25/h2-23H,1H3,(H2,33,34,35)
InChIKeyZSXFDGKAXDNCPN-UHFFFAOYSA-N
XLogP7.85
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.54
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-phenylphenyl) dihydrogen phosphate
CID 19371408
ethoxyethane;(2-phenylphenyl) dihydrogen phosphate
CID 67681230
(2-tritylphenyl) dihydrogen phosphate
CID 69421021
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
methyl (2-phenylphenyl) hydrogen phosphate
CID 142726316
[2-methyl-1,1-bis(2-phenylphenyl)propyl] phenyl hydrogen phosphate
CID 68743374
(4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate
CID 139623826
phenyl (2-phenylphenyl) hydrogen phosphate
CID 21401890
[2-(3-ethyloctan-3-yl)phenyl] dihydrogen phosphate
CID 141453576
bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate
CID 68741476
(2-tert-butylphenyl) chloro hydrogen phosphate
CID 67980100
3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid
CID 175058303

Frequently Asked Questions

What is the IUPAC name of [2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate?
The IUPAC name of [2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate (CID 68740859) is [2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate.
What is the SMILES notation for [2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate?
The canonical SMILES for [2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate is CC(c1ccccc1OP(=O)(O)O)(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1.
What is the InChIKey of [2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate?
The InChIKey is ZSXFDGKAXDNCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27O4P/c1-32(30-22-12-13-23-31(30)36-37(33,34)35,28-20-10-8-18-26(28)24-14-4-2-5-15-24)29-21-11-9-19-27(29)25-16-6-3-7-17-25/h2-23H,1H3,(H2,33,34,35).
What are the key properties of [2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate?
[2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate has a molecular weight of 506.54 g/mol, XLogP of 7.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate is sourced from PubChem (CID 68740859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).