(2-diphenylphosphoryl-3-phenylpropyl)benzene

C27H25OP — CID 162399003

IUPAC(2-diphenylphosphoryl-3-phenylpropyl)benzene
SMILESO=P(c1ccccc1)(c1ccccc1)C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H25OP/c28-29(25-17-9-3-10-18-25,26-19-11-4-12-20-26)27(21-23-13-5-1-6-14-23)22-24-15-7-2-8-16-24/h1-20,27H,21-22H2
InChIKeyOKEPUCWOAAZMEE-UHFFFAOYSA-N
MW396.47 g/mol
LogP5.85
Rot. Bonds7

About (2-diphenylphosphoryl-3-phenylpropyl)benzene

(2-diphenylphosphoryl-3-phenylpropyl)benzene (PubChem CID 162399003) has the molecular formula C27H25OP and a molecular weight of 396.47 g/mol. Its IUPAC name is (2-diphenylphosphoryl-3-phenylpropyl)benzene.

Molecular Properties

Compound Name(2-diphenylphosphoryl-3-phenylpropyl)benzene
PubChem CID162399003
Molecular FormulaC27H25OP
Molecular Weight396.47 g/mol
Exact Mass396.16
IUPAC Name(2-diphenylphosphoryl-3-phenylpropyl)benzene
SMILESO=P(c1ccccc1)(c1ccccc1)C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H25OP/c28-29(25-17-9-3-10-18-25,26-19-11-4-12-20-26)27(21-23-13-5-1-6-14-23)22-24-15-7-2-8-16-24/h1-20,27H,21-22H2
InChIKeyOKEPUCWOAAZMEE-UHFFFAOYSA-N
XLogP5.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.47
LogP ≤ 55.85
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

(4,4-dihydroxy-1-phenylbutan-2-yl)phosphonic acid
CID 56977688
(2S,3R,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol
CID 15315874
(2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol
CID 15315873
1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole
CID 3783348
[(2-phenyl-1-phosphonoethyl)amino]methylphosphonic acid
CID 87272137
N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine
CID 175479837
(2R)-N-diphenylphosphoryl-1-phenylpentan-2-amine
CID 14934133
(2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid
CID 71387585
2,2-bis(dimethylphosphoryl)ethylbenzene;carbanide;ethane;yttrium
CID 157437692
[3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid
CID 11773578
(2R)-1-phenylpropan-2-amine;phosphoric acid
CID 76961595
(1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol
CID 23241767

Frequently Asked Questions

What is the IUPAC name of (2-diphenylphosphoryl-3-phenylpropyl)benzene?
The IUPAC name of (2-diphenylphosphoryl-3-phenylpropyl)benzene (CID 162399003) is (2-diphenylphosphoryl-3-phenylpropyl)benzene.
What is the SMILES notation for (2-diphenylphosphoryl-3-phenylpropyl)benzene?
The canonical SMILES for (2-diphenylphosphoryl-3-phenylpropyl)benzene is O=P(c1ccccc1)(c1ccccc1)C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2-diphenylphosphoryl-3-phenylpropyl)benzene?
The InChIKey is OKEPUCWOAAZMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25OP/c28-29(25-17-9-3-10-18-25,26-19-11-4-12-20-26)27(21-23-13-5-1-6-14-23)22-24-15-7-2-8-16-24/h1-20,27H,21-22H2.
What are the key properties of (2-diphenylphosphoryl-3-phenylpropyl)benzene?
(2-diphenylphosphoryl-3-phenylpropyl)benzene has a molecular weight of 396.47 g/mol, XLogP of 5.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphoryl-3-phenylpropyl)benzene is sourced from PubChem (CID 162399003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).