[4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate

C20H19N2O4P — CID 68675993

IUPAC[4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate
SMILES[H]/N=C(\N)C(c1ccccc1)(c1ccccc1)c1ccc(OP(=O)(O)O)cc1
InChIInChI=1S/C20H19N2O4P/c21-19(22)20(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-18(14-12-17)26-27(23,24)25/h1-14H,(H3,21,22)(H2,23,24,25)
InChIKeyXVOVXQMHQDFKEE-UHFFFAOYSA-N
MW382.36 g/mol
LogP3.43
Rot. Bonds6

About [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate

[4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate (PubChem CID 68675993) has the molecular formula C20H19N2O4P and a molecular weight of 382.36 g/mol. Its IUPAC name is [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate
PubChem CID68675993
Molecular FormulaC20H19N2O4P
Molecular Weight382.36 g/mol
Exact Mass382.11
IUPAC Name[4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate
SMILES[H]/N=C(\N)C(c1ccccc1)(c1ccccc1)c1ccc(OP(=O)(O)O)cc1
InChIInChI=1S/C20H19N2O4P/c21-19(22)20(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-18(14-12-17)26-27(23,24)25/h1-14H,(H3,21,22)(H2,23,24,25)
InChIKeyXVOVXQMHQDFKEE-UHFFFAOYSA-N
XLogP3.43
TPSA116.63 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate
CID 154068458
(4-tritylphenyl) dihydrogen phosphate
CID 154267652
CID 131875092
CID 131875092
2,2,2-tris(4-fluorophenyl)ethanimidamide
CID 68675497
(4-phenylphenyl) dihydrogen phosphate;hydrate
CID 174536895
[4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 155895268
phenyl dihydrogen phosphate;1-phenylpropane-1,1-diol
CID 174749321
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
(4-phenyldiazenylphenyl) dihydrogen phosphate
CID 21275212
C20H18NaO11P2
CID 156588820
2-aminophenol;phenyl dihydrogen phosphate
CID 158038709
cesium phenyl hydrogen phosphate
CID 175568082

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate?
The IUPAC name of [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate (CID 68675993) is [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate.
What is the SMILES notation for [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate?
The canonical SMILES for [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate is [H]/N=C(\N)C(c1ccccc1)(c1ccccc1)c1ccc(OP(=O)(O)O)cc1.
What is the InChIKey of [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate?
The InChIKey is XVOVXQMHQDFKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N2O4P/c21-19(22)20(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-18(14-12-17)26-27(23,24)25/h1-14H,(H3,21,22)(H2,23,24,25).
What are the key properties of [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate?
[4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate has a molecular weight of 382.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate is sourced from PubChem (CID 68675993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).