methyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane

C25H22OP2 — CID 122491107

IUPACmethyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane
SMILESCP(c1ccccc1)c1ccccc1Oc1ccccc1Pc1ccccc1
InChIInChI=1S/C25H22OP2/c1-28(21-14-6-3-7-15-21)25-19-11-9-17-23(25)26-22-16-8-10-18-24(22)27-20-12-4-2-5-13-20/h2-19,27H,1H3
InChIKeyUHLATDNOQSAVRM-UHFFFAOYSA-N
MW400.40 g/mol
LogP5.17
Rot. Bonds6

About methyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane

methyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane (PubChem CID 122491107) has the molecular formula C25H22OP2 and a molecular weight of 400.40 g/mol. Its IUPAC name is methyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane.

Molecular Properties

Compound Namemethyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane
PubChem CID122491107
Molecular FormulaC25H22OP2
Molecular Weight400.40 g/mol
Exact Mass400.11
IUPAC Namemethyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane
SMILESCP(c1ccccc1)c1ccccc1Oc1ccccc1Pc1ccccc1
InChIInChI=1S/C25H22OP2/c1-28(21-14-6-3-7-15-21)25-19-11-9-17-23(25)26-22-16-8-10-18-24(22)27-20-12-4-2-5-13-20/h2-19,27H,1H3
InChIKeyUHLATDNOQSAVRM-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.40
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane
CID 167215874
lithium;hydride;(2-methoxyphenyl)-phenylphosphane
CID 175008654
2-[methyl(phenyl)phosphanyl]phenol
CID 11820610
[2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane
CID 71713664
diphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane
CID 137491605
[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;rhodium;perchlorate
CID 135084630
chloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-phenylphosphane
CID 159834290
phenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane
CID 88851633
borane;methyl(diphenyl)phosphane
CID 13485169
[2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane
CID 23643523
[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-phenyl-[7-(2-phenylphosphanylphenoxy)cyclohepta-1,3,6-trien-1-yl]phosphane;toluene
CID 142416138
methyl(diphenyl)phosphane;palladium(2+);dichloride
CID 175235701

Frequently Asked Questions

What is the IUPAC name of methyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane?
The IUPAC name of methyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane (CID 122491107) is methyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane.
What is the SMILES notation for methyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane?
The canonical SMILES for methyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane is CP(c1ccccc1)c1ccccc1Oc1ccccc1Pc1ccccc1.
What is the InChIKey of methyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane?
The InChIKey is UHLATDNOQSAVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22OP2/c1-28(21-14-6-3-7-15-21)25-19-11-9-17-23(25)26-22-16-8-10-18-24(22)27-20-12-4-2-5-13-20/h2-19,27H,1H3.
What are the key properties of methyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane?
methyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane has a molecular weight of 400.40 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane is sourced from PubChem (CID 122491107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).