(28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane

C46H46O6P2 — CID 127262820

IUPAC(28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCOCCOCCOCCOCCO3)cc1
InChIInChI=1S/C46H46O6P2/c1-5-15-37(16-6-1)53(38-17-7-2-8-18-38)43-25-13-23-41-45(43)46-42(52-36-34-50-32-30-48-28-27-47-29-31-49-33-35-51-41)24-14-26-44(46)54(39-19-9-3-10-20-39)40-21-11-4-12-22-40/h1-26H,27-36H2
InChIKeyBZUVDAZAVNWRSC-UHFFFAOYSA-N
MW756.82 g/mol
LogP6.71
Rot. Bonds6

About (28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane

(28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane (PubChem CID 127262820) has the molecular formula C46H46O6P2 and a molecular weight of 756.82 g/mol. Its IUPAC name is (28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane.

Molecular Properties

Compound Name(28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane
PubChem CID127262820
Molecular FormulaC46H46O6P2
Molecular Weight756.82 g/mol
Exact Mass756.28
IUPAC Name(28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCOCCOCCOCCOCCO3)cc1
InChIInChI=1S/C46H46O6P2/c1-5-15-37(16-6-1)53(38-17-7-2-8-18-38)43-25-13-23-41-45(43)46-42(52-36-34-50-32-30-48-28-27-47-29-31-49-33-35-51-41)24-14-26-44(46)54(39-19-9-3-10-20-39)40-21-11-4-12-22-40/h1-26H,27-36H2
InChIKeyBZUVDAZAVNWRSC-UHFFFAOYSA-N
XLogP6.71
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.82
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane?
The IUPAC name of (28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane (CID 127262820) is (28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane.
What is the SMILES notation for (28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane?
The canonical SMILES for (28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane is c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCOCCOCCOCCOCCO3)cc1.
What is the InChIKey of (28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane?
The InChIKey is BZUVDAZAVNWRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46O6P2/c1-5-15-37(16-6-1)53(38-17-7-2-8-18-38)43-25-13-23-41-45(43)46-42(52-36-34-50-32-30-48-28-27-47-29-31-49-33-35-51-41)24-14-26-44(46)54(39-19-9-3-10-20-39)40-21-11-4-12-22-40/h1-26H,27-36H2.
What are the key properties of (28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane?
(28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane has a molecular weight of 756.82 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (28-diphenylphosphanyl-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaen-3-yl)-diphenylphosphane is sourced from PubChem (CID 127262820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).