[3,4-diethyl-5-(4-phenylphenyl)phenyl]methanamine;bis(dihydroxy(oxo)phosphanium)

C23H29NO6P2+2 — CID 158462558

IUPAC[3,4-diethyl-5-(4-phenylphenyl)phenyl]methanamine;bis(dihydroxy(oxo)phosphanium)
SMILESCCc1cc(CN)cc(-c2ccc(-c3ccccc3)cc2)c1CC.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C23H25N.2HO3P/c1-3-18-14-17(16-24)15-23(22(18)4-2)21-12-10-20(11-13-21)19-8-6-5-7-9-19;2*1-4(2)3/h5-15H,3-4,16,24H2,1-2H3;2*(H-,1,2,3)/p+2
InChIKeyZQRXUWXZCUACGJ-UHFFFAOYSA-P
MW477.43 g/mol
LogP4.86
Rot. Bonds5

About [3,4-diethyl-5-(4-phenylphenyl)phenyl]methanamine;bis(dihydroxy(oxo)phosphanium)

[3,4-diethyl-5-(4-phenylphenyl)phenyl]methanamine;bis(dihydroxy(oxo)phosphanium) (PubChem CID 158462558) has the molecular formula C23H29NO6P2+2 and a molecular weight of 477.43 g/mol. Its IUPAC name is [3,4-diethyl-5-(4-phenylphenyl)phenyl]methanamine;bis(dihydroxy(oxo)phosphanium).

Molecular Properties

Compound Name[3,4-diethyl-5-(4-phenylphenyl)phenyl]methanamine;bis(dihydroxy(oxo)phosphanium)
PubChem CID158462558
Molecular FormulaC23H29NO6P2+2
Molecular Weight477.43 g/mol
Exact Mass477.15
IUPAC Name[3,4-diethyl-5-(4-phenylphenyl)phenyl]methanamine;bis(dihydroxy(oxo)phosphanium)
SMILESCCc1cc(CN)cc(-c2ccc(-c3ccccc3)cc2)c1CC.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C23H25N.2HO3P/c1-3-18-14-17(16-24)15-23(22(18)4-2)21-12-10-20(11-13-21)19-8-6-5-7-9-19;2*1-4(2)3/h5-15H,3-4,16,24H2,1-2H3;2*(H-,1,2,3)/p+2
InChIKeyZQRXUWXZCUACGJ-UHFFFAOYSA-P
XLogP4.86
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.43
LogP ≤ 54.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

US11485708, Compd ID 1.018
CID 155463704
[4-(2,4-Dimethylphenyl)phenyl]methanamine
CID 43840264
[3-(2,4-Dimethylphenyl)phenyl]methanamine
CID 43840265
[2-(2,4-Dimethylphenyl)phenyl]methanamine
CID 43840266
1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-, phosphate (1:?)
CID 106830
3-[[4-[(E)-4-(3,4-dimethylphenyl)-3-(3-fluorophenyl)but-1-enyl]phenyl]methylamino]propylphosphonic acid
CID 67777243
3-[[4-[4-(3,4-Dimethylphenyl)-3-(3-fluorophenyl)but-1-enyl]phenyl]methylamino]propylphosphonic acid
CID 67777247
3-[[4-[2-(3,4-Dimethylphenyl)-1-(3-fluorophenyl)ethyl]-3-methylphenyl]methylamino]propylphosphonic acid
CID 67962049
3-[[4-[3-(3,5-Difluorophenyl)-4-(3,4-dimethylphenyl)buta-1,2-dienyl]-2-ethylphenyl]methylamino]propylphosphonic acid
CID 75201312
[3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]methanamine
CID 167089224
[3-[2-(2-Methyl-3-phenylphenyl)ethyl]-4-(trifluoromethyl)phenyl]methanamine
CID 167089229
N-diphenylphosphoryl-1-(2-methylphenyl)methanamine
CID 174457942

Frequently Asked Questions

What is the IUPAC name of [3,4-diethyl-5-(4-phenylphenyl)phenyl]methanamine;bis(dihydroxy(oxo)phosphanium)?
The IUPAC name of [3,4-diethyl-5-(4-phenylphenyl)phenyl]methanamine;bis(dihydroxy(oxo)phosphanium) (CID 158462558) is [3,4-diethyl-5-(4-phenylphenyl)phenyl]methanamine;bis(dihydroxy(oxo)phosphanium).
What is the SMILES notation for [3,4-diethyl-5-(4-phenylphenyl)phenyl]methanamine;bis(dihydroxy(oxo)phosphanium)?
The canonical SMILES for [3,4-diethyl-5-(4-phenylphenyl)phenyl]methanamine;bis(dihydroxy(oxo)phosphanium) is CCc1cc(CN)cc(-c2ccc(-c3ccccc3)cc2)c1CC.O=[P+](O)O.O=[P+](O)O.
What is the InChIKey of [3,4-diethyl-5-(4-phenylphenyl)phenyl]methanamine;bis(dihydroxy(oxo)phosphanium)?
The InChIKey is ZQRXUWXZCUACGJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H25N.2HO3P/c1-3-18-14-17(16-24)15-23(22(18)4-2)21-12-10-20(11-13-21)19-8-6-5-7-9-19;2*1-4(2)3/h5-15H,3-4,16,24H2,1-2H3;2*(H-,1,2,3)/p+2.
What are the key properties of [3,4-diethyl-5-(4-phenylphenyl)phenyl]methanamine;bis(dihydroxy(oxo)phosphanium)?
[3,4-diethyl-5-(4-phenylphenyl)phenyl]methanamine;bis(dihydroxy(oxo)phosphanium) has a molecular weight of 477.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-diethyl-5-(4-phenylphenyl)phenyl]methanamine;bis(dihydroxy(oxo)phosphanium) is sourced from PubChem (CID 158462558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).