(4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium

C30H25O2P2+ — CID 88555951

IUPAC(4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc([P+](O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H25O2P2/c31-33(25-13-5-1-6-14-25,26-15-7-2-8-16-26)29-21-23-30(24-22-29)34(32,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24,31H/q+1
InChIKeyVBYFYEQHQKQSFU-UHFFFAOYSA-N
MW479.48 g/mol
LogP4.53
Rot. Bonds6

About (4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium

(4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium (PubChem CID 88555951) has the molecular formula C30H25O2P2+ and a molecular weight of 479.48 g/mol. Its IUPAC name is (4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium.

Molecular Properties

Compound Name(4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium
PubChem CID88555951
Molecular FormulaC30H25O2P2+
Molecular Weight479.48 g/mol
Exact Mass479.13
IUPAC Name(4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc([P+](O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H25O2P2/c31-33(25-13-5-1-6-14-25,26-15-7-2-8-16-26)29-21-23-30(24-22-29)34(32,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24,31H/q+1
InChIKeyVBYFYEQHQKQSFU-UHFFFAOYSA-N
XLogP4.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphorylbenzene;terbium
CID 86595283
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
[2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium
CID 163566769
dichlorochromium;bis(diphenylphosphorylbenzene)
CID 23290734
diphenylphosphorylbenzene;oxirene
CID 174881764
diiodocobalt;bis(diphenylphosphorylbenzene)
CID 154702808
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium
CID 155644613
hydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium
CID 129303936
4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide
CID 177476151
1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane
CID 160886061

Frequently Asked Questions

What is the IUPAC name of (4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium?
The IUPAC name of (4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium (CID 88555951) is (4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium.
What is the SMILES notation for (4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium?
The canonical SMILES for (4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium is O=P(c1ccccc1)(c1ccccc1)c1ccc([P+](O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium?
The InChIKey is VBYFYEQHQKQSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25O2P2/c31-33(25-13-5-1-6-14-25,26-15-7-2-8-16-26)29-21-23-30(24-22-29)34(32,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24,31H/q+1.
What are the key properties of (4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium?
(4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium has a molecular weight of 479.48 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium is sourced from PubChem (CID 88555951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).