CID 23417317

C36H30O6P- — CID 23417317

IUPAC—
SMILESc1ccc(O[P-](Oc2ccccc2)(Oc2ccccc2)(Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C36H30O6P/c1-7-19-31(20-8-1)37-43(38-32-21-9-2-10-22-32,39-33-23-11-3-12-24-33,40-34-25-13-4-14-26-34,41-35-27-15-5-16-28-35)42-36-29-17-6-18-30-36/h1-30H/q-1
InChIKeyCMOAVGGCBPKADK-UHFFFAOYSA-N
MW589.60 g/mol
LogP10.04
Rot. Bonds12

About CID 23417317

CID 23417317 (PubChem CID 23417317) has the molecular formula C36H30O6P- and a molecular weight of 589.60 g/mol.

Molecular Properties

Compound NameCID 23417317
PubChem CID23417317
Molecular FormulaC36H30O6P-
Molecular Weight589.60 g/mol
Exact Mass589.18
IUPAC Name—
SMILESc1ccc(O[P-](Oc2ccccc2)(Oc2ccccc2)(Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C36H30O6P/c1-7-19-31(20-8-1)37-43(38-32-21-9-2-10-22-32,39-33-23-11-3-12-24-33,40-34-25-13-4-14-26-34,41-35-27-15-5-16-28-35)42-36-29-17-6-18-30-36/h1-30H/q-1
InChIKeyCMOAVGGCBPKADK-UHFFFAOYSA-N
XLogP10.04
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.60
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Triphenyl Phosphate
CID 8289
Triphenyl phosphite
CID 7540
Hexaphenoxycyclotriphosphazene
CID 136917
O,O,O-Triphenyl phosphorothioate
CID 69011
Phosphoric acid, P,P'-1,3-phenylene P,P,P',P'-tetraphenyl ester
CID 93311
Diphenyl P-phenylphosphonate
CID 76448
Tetraphenoxysilane
CID 70896
(4-Diphenoxyphosphoryloxyphenyl) diphenyl phosphate
CID 6611235
Cyclohexyl diphenyl phosphate
CID 3034145
Phenyl P,P-diphenylphosphinate
CID 15566
(1,1'-Biphenyl)-2-ol, 2,2'',2''''-phosphite
CID 75983
Methyltriphenoxyphosphonium iodide
CID 2735090

Frequently Asked Questions

What is the IUPAC name of CID 23417317?
The IUPAC name of CID 23417317 (CID 23417317) is not available.
What is the SMILES notation for CID 23417317?
The canonical SMILES for CID 23417317 is c1ccc(O[P-](Oc2ccccc2)(Oc2ccccc2)(Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of CID 23417317?
The InChIKey is CMOAVGGCBPKADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30O6P/c1-7-19-31(20-8-1)37-43(38-32-21-9-2-10-22-32,39-33-23-11-3-12-24-33,40-34-25-13-4-14-26-34,41-35-27-15-5-16-28-35)42-36-29-17-6-18-30-36/h1-30H/q-1.
What are the key properties of CID 23417317?
CID 23417317 has a molecular weight of 589.60 g/mol, XLogP of 10.04, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23417317 is sourced from PubChem (CID 23417317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).