diphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate

C36H28O4P2 — CID 141462788

IUPACdiphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Oc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1P
InChIInChI=1S/C36H28O4P2/c37-42(38-30-22-12-4-13-23-30,39-31-24-14-5-15-25-31)40-33-26-32(27-16-6-1-7-17-27)34(28-18-8-2-9-19-28)35(36(33)41)29-20-10-3-11-21-29/h1-26H,41H2
InChIKeyFRZXRAHOVQDISC-UHFFFAOYSA-N
MW586.56 g/mol
LogP9.83
Rot. Bonds9

About diphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate

diphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate (PubChem CID 141462788) has the molecular formula C36H28O4P2 and a molecular weight of 586.56 g/mol. Its IUPAC name is diphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate.

Molecular Properties

Compound Namediphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate
PubChem CID141462788
Molecular FormulaC36H28O4P2
Molecular Weight586.56 g/mol
Exact Mass586.15
IUPAC Namediphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Oc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1P
InChIInChI=1S/C36H28O4P2/c37-42(38-30-22-12-4-13-23-30,39-31-24-14-5-15-25-31)40-33-26-32(27-16-6-1-7-17-27)34(28-18-8-2-9-19-28)35(36(33)41)29-20-10-3-11-21-29/h1-26H,41H2
InChIKeyFRZXRAHOVQDISC-UHFFFAOYSA-N
XLogP9.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.56
LogP ≤ 59.83
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

triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
[4-(2-tert-butylphenyl)-2,3-diphenylphenyl] diphenyl phosphate
CID 175192889
[2,3-bis(4-tert-butylphenyl)phenyl] diphenyl phosphate
CID 175194897
tris(4-hydroxy-2,3-diphenylphenyl) phosphate
CID 139835214
bis(2-bromophenyl) phenyl phosphate
CID 154206613
bis(2-methylphenyl) phenyl phosphate
CID 14618640
tris(4-phenoxyphenyl) phosphate
CID 70576220
2-methylpropane;triphenyl phosphate
CID 91193965
(2,5-dihydroxyphenyl) diphenyl phosphate
CID 22481167
[2-[1-(2-diphenoxyphosphoryloxyphenyl)propyl]phenyl] diphenyl phosphate
CID 54005902
(2-hydroxy-5-methylphenyl) diphenyl phosphate
CID 13272252

Frequently Asked Questions

What is the IUPAC name of diphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate?
The IUPAC name of diphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate (CID 141462788) is diphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate.
What is the SMILES notation for diphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate?
The canonical SMILES for diphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate is O=P(Oc1ccccc1)(Oc1ccccc1)Oc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1P.
What is the InChIKey of diphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate?
The InChIKey is FRZXRAHOVQDISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28O4P2/c37-42(38-30-22-12-4-13-23-30,39-31-24-14-5-15-25-31)40-33-26-32(27-16-6-1-7-17-27)34(28-18-8-2-9-19-28)35(36(33)41)29-20-10-3-11-21-29/h1-26H,41H2.
What are the key properties of diphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate?
diphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate has a molecular weight of 586.56 g/mol, XLogP of 9.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate is sourced from PubChem (CID 141462788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).