2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol

C35H34NO2P — CID 23420726

IUPAC2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)C(Cc2ccccc2)NP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H34NO2P/c1-27-18-22-30(23-19-27)35(37,31-24-20-28(2)21-25-31)34(26-29-12-6-3-7-13-29)36-39(38,32-14-8-4-9-15-32)33-16-10-5-11-17-33/h3-25,34,37H,26H2,1-2H3,(H,36,38)
InChIKeyTWMXGLBHTWSXTQ-UHFFFAOYSA-N
MW531.64 g/mol
LogP6.67
Rot. Bonds9

About 2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol

2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol (PubChem CID 23420726) has the molecular formula C35H34NO2P and a molecular weight of 531.64 g/mol. Its IUPAC name is 2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
PubChem CID23420726
Molecular FormulaC35H34NO2P
Molecular Weight531.64 g/mol
Exact Mass531.23
IUPAC Name2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)C(Cc2ccccc2)NP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H34NO2P/c1-27-18-22-30(23-19-27)35(37,31-24-20-28(2)21-25-31)34(26-29-12-6-3-7-13-29)36-39(38,32-14-8-4-9-15-32)33-16-10-5-11-17-33/h3-25,34,37H,26H2,1-2H3,(H,36,38)
InChIKeyTWMXGLBHTWSXTQ-UHFFFAOYSA-N
XLogP6.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.64
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide
CID 69009193
(2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 101072833
(2R)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 22084869
(1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol
CID 23241767
(2S)-2-amino-N-[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]propanamide
CID 177480073
N-[(2S)-3-ethyl-3-hydroxy-1-phenylpentan-2-yl]-4-methylbenzenesulfonamide
CID 11382871
N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
CID 72834270
(2R)-N-diphenylphosphoryl-1-phenylpentan-2-amine
CID 14934133
N,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide
CID 23140989
1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide
CID 66923555
2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone
CID 101360122
N-[(2S)-3-benzyl-3-hydroxy-1,4-diphenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 24799695

Frequently Asked Questions

What is the IUPAC name of 2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol?
The IUPAC name of 2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol (CID 23420726) is 2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol is Cc1ccc(C(O)(c2ccc(C)cc2)C(Cc2ccccc2)NP(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol?
The InChIKey is TWMXGLBHTWSXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34NO2P/c1-27-18-22-30(23-19-27)35(37,31-24-20-28(2)21-25-31)34(26-29-12-6-3-7-13-29)36-39(38,32-14-8-4-9-15-32)33-16-10-5-11-17-33/h3-25,34,37H,26H2,1-2H3,(H,36,38).
What are the key properties of 2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol?
2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol has a molecular weight of 531.64 g/mol, XLogP of 6.67, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 23420726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).