phenylphosphane;tris(4-methylphenyl) phosphite

C27H28O3P2 — CID 174790413

IUPACphenylphosphane;tris(4-methylphenyl) phosphite
SMILESCc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.Pc1ccccc1
InChIInChI=1S/C21H21O3P.C6H7P/c1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21;7-6-4-2-1-3-5-6/h4-15H,1-3H3;1-5H,7H2
InChIKeyYPCQMUQYJDNKAO-UHFFFAOYSA-N
MW462.47 g/mol
LogP7.56
Rot. Bonds6

About phenylphosphane;tris(4-methylphenyl) phosphite

phenylphosphane;tris(4-methylphenyl) phosphite (PubChem CID 174790413) has the molecular formula C27H28O3P2 and a molecular weight of 462.47 g/mol. Its IUPAC name is phenylphosphane;tris(4-methylphenyl) phosphite.

Molecular Properties

Compound Namephenylphosphane;tris(4-methylphenyl) phosphite
PubChem CID174790413
Molecular FormulaC27H28O3P2
Molecular Weight462.47 g/mol
Exact Mass462.15
IUPAC Namephenylphosphane;tris(4-methylphenyl) phosphite
SMILESCc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.Pc1ccccc1
InChIInChI=1S/C21H21O3P.C6H7P/c1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21;7-6-4-2-1-3-5-6/h4-15H,1-3H3;1-5H,7H2
InChIKeyYPCQMUQYJDNKAO-UHFFFAOYSA-N
XLogP7.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.47
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phosphane;tris(4-methylphenyl) phosphite
CID 174494653
tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
formaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride
CID 23462594
ethane;phenylphosphane;phosphane
CID 160653411
bis(4-methylphenyl) propan-2-yl phosphite
CID 155662837
(4-tert-butylphenyl) diphenyl phosphite
CID 19796180
diphenyl (2,4,6-trimethylphenyl) phosphite
CID 23454654
phenylphosphane
CID 160937143
carbon monoxide;manganese;bis(triphenyl phosphite)
CID 135047588
anisole;phenylphosphane
CID 142274985
CID 159013502
CID 159013502

Frequently Asked Questions

What is the IUPAC name of phenylphosphane;tris(4-methylphenyl) phosphite?
The IUPAC name of phenylphosphane;tris(4-methylphenyl) phosphite (CID 174790413) is phenylphosphane;tris(4-methylphenyl) phosphite.
What is the SMILES notation for phenylphosphane;tris(4-methylphenyl) phosphite?
The canonical SMILES for phenylphosphane;tris(4-methylphenyl) phosphite is Cc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.Pc1ccccc1.
What is the InChIKey of phenylphosphane;tris(4-methylphenyl) phosphite?
The InChIKey is YPCQMUQYJDNKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O3P.C6H7P/c1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21;7-6-4-2-1-3-5-6/h4-15H,1-3H3;1-5H,7H2.
What are the key properties of phenylphosphane;tris(4-methylphenyl) phosphite?
phenylphosphane;tris(4-methylphenyl) phosphite has a molecular weight of 462.47 g/mol, XLogP of 7.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenylphosphane;tris(4-methylphenyl) phosphite is sourced from PubChem (CID 174790413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).