phosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane

C36H33O7P3 — CID 174553111

IUPACphosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane
SMILESO=P(O)(O)OP(=O)(O)O.c1ccc(-c2ccccc2P(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H29P.H4O7P2/c1-6-18-30(19-7-1)35-28-16-17-29-36(35)37(31-20-8-2-9-21-31,32-22-10-3-11-23-32,33-24-12-4-13-25-33)34-26-14-5-15-27-34;1-8(2,3)7-9(4,5)6/h1-29H;(H2,1,2,3)(H2,4,5,6)
InChIKeyMOMOWMJUQQBAIY-UHFFFAOYSA-N
MW670.58 g/mol
LogP6.02
Rot. Bonds8

About phosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane

phosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane (PubChem CID 174553111) has the molecular formula C36H33O7P3 and a molecular weight of 670.58 g/mol. Its IUPAC name is phosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane.

Molecular Properties

Compound Namephosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane
PubChem CID174553111
Molecular FormulaC36H33O7P3
Molecular Weight670.58 g/mol
Exact Mass670.14
IUPAC Namephosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane
SMILESO=P(O)(O)OP(=O)(O)O.c1ccc(-c2ccccc2P(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H29P.H4O7P2/c1-6-18-30(19-7-1)35-28-16-17-29-36(35)37(31-20-8-2-9-21-31,32-22-10-3-11-23-32,33-24-12-4-13-25-33)34-26-14-5-15-27-34;1-8(2,3)7-9(4,5)6/h1-29H;(H2,1,2,3)(H2,4,5,6)
InChIKeyMOMOWMJUQQBAIY-UHFFFAOYSA-N
XLogP6.02
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.58
LogP ≤ 56.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-phenylphenyl) dihydrogen phosphate
CID 19371408
hydroxy-diphenyl-bis(2-phenylphenyl)-λ5-phosphane
CID 141029381
2-phenylethylbenzene;phosphono dihydrogen phosphate
CID 174463104
ethoxyethane;(2-phenylphenyl) dihydrogen phosphate
CID 67681230
phenylmethoxy-(2-phenylphenyl)phosphinic acid
CID 139679821
methyl (2-phenylphenyl) hydrogen phosphate
CID 142726316
phenyl (2-phenylphenyl) hydrogen phosphate
CID 21401890
1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid
CID 67896941
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333
(2-benzyl-6-phenylphenyl) dihydrogen phosphate
CID 141022592
2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol;phosphono dihydrogen phosphate
CID 159986378
[benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate
CID 87475279

Frequently Asked Questions

What is the IUPAC name of phosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane?
The IUPAC name of phosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane (CID 174553111) is phosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane.
What is the SMILES notation for phosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane?
The canonical SMILES for phosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane is O=P(O)(O)OP(=O)(O)O.c1ccc(-c2ccccc2P(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of phosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane?
The InChIKey is MOMOWMJUQQBAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29P.H4O7P2/c1-6-18-30(19-7-1)35-28-16-17-29-36(35)37(31-20-8-2-9-21-31,32-22-10-3-11-23-32,33-24-12-4-13-25-33)34-26-14-5-15-27-34;1-8(2,3)7-9(4,5)6/h1-29H;(H2,1,2,3)(H2,4,5,6).
What are the key properties of phosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane?
phosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane has a molecular weight of 670.58 g/mol, XLogP of 6.02, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane is sourced from PubChem (CID 174553111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).