[2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane

C30H32OP2 — CID 23643523

IUPAC[2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane
SMILESCC(C)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C30H32OP2/c1-23(2)32(24(3)4)29-21-13-11-19-27(29)31-28-20-12-14-22-30(28)33(25-15-7-5-8-16-25)26-17-9-6-10-18-26/h5-24H,1-4H3
InChIKeyPBETUHQZQMEVGE-UHFFFAOYSA-N
MW470.53 g/mol
LogP7.16
Rot. Bonds8

About [2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane

[2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane (PubChem CID 23643523) has the molecular formula C30H32OP2 and a molecular weight of 470.53 g/mol. Its IUPAC name is [2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name[2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane
PubChem CID23643523
Molecular FormulaC30H32OP2
Molecular Weight470.53 g/mol
Exact Mass470.19
IUPAC Name[2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane
SMILESCC(C)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C30H32OP2/c1-23(2)32(24(3)4)29-21-13-11-19-27(29)31-28-20-12-14-22-30(28)33(25-15-7-5-8-16-25)26-17-9-6-10-18-26/h5-24H,1-4H3
InChIKeyPBETUHQZQMEVGE-UHFFFAOYSA-N
XLogP7.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 57.16
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

[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;rhodium;perchlorate
CID 135084630
(2-diphenylphosphanylphenyl)-[2-di(propan-2-yl)phosphanylphenyl]azanide
CID 101476712
[2-[2-bis(2,4,6-trimethylphenyl)boranylphenoxy]phenyl]-diphenylphosphane
CID 23643524
1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one
CID 146507667
(2-diphenylphosphanylphenyl) pentanoate
CID 71406690
phenyl-bis(2-trimethylsilyloxyphenyl)phosphane
CID 15491689
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
[2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 149137608
[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499
[2-[[2-di(propan-2-yl)phosphanylphenyl]-(2-methoxyphenyl)methyl]phenyl]-di(propan-2-yl)phosphane
CID 139112665
2-diphenylphosphanyl-6-methoxyphenol
CID 58759318
(2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate
CID 121325775

Frequently Asked Questions

What is the IUPAC name of [2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane?
The IUPAC name of [2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane (CID 23643523) is [2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane.
What is the SMILES notation for [2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane?
The canonical SMILES for [2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane is CC(C)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of [2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane?
The InChIKey is PBETUHQZQMEVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32OP2/c1-23(2)32(24(3)4)29-21-13-11-19-27(29)31-28-20-12-14-22-30(28)33(25-15-7-5-8-16-25)26-17-9-6-10-18-26/h5-24H,1-4H3.
What are the key properties of [2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane?
[2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane has a molecular weight of 470.53 g/mol, XLogP of 7.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane is sourced from PubChem (CID 23643523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).