N-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline

C28H28N3P — CID 102500978

IUPACN-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline
SMILESCCN(CCP(c1ccccc1)c1ccccc1)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C28H28N3P/c1-2-31(26-20-18-25(19-21-26)30-29-24-12-6-3-7-13-24)22-23-32(27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-21H,2,22-23H2,1H3/b30-29+
InChIKeyYPOWDVFKQMFIOV-QVIHXGFCSA-N
MW437.53 g/mol
LogP7.06
Rot. Bonds9

About N-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline

N-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline (PubChem CID 102500978) has the molecular formula C28H28N3P and a molecular weight of 437.53 g/mol. Its IUPAC name is N-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline.

Molecular Properties

Compound NameN-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline
PubChem CID102500978
Molecular FormulaC28H28N3P
Molecular Weight437.53 g/mol
Exact Mass437.20
IUPAC NameN-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline
SMILESCCN(CCP(c1ccccc1)c1ccccc1)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C28H28N3P/c1-2-31(26-20-18-25(19-21-26)30-29-24-12-6-3-7-13-24)22-23-32(27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-21H,2,22-23H2,1H3/b30-29+
InChIKeyYPOWDVFKQMFIOV-QVIHXGFCSA-N
XLogP7.06
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.53
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(N-ethyl-4-phenyldiazenylanilino)methanol
CID 59882366
N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline
CID 140607759
N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline
CID 153313292
N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline
CID 134935584
2-[N-ethyl-4-[[4-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]sulfanylphenyl]diazenyl]anilino]ethanol
CID 102049909
2-[[4-(diethylamino)phenyl]diazenyl]benzoic acid iodide
CID 20831759
N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline
CID 10589059
4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline
CID 13007572
1-(N-ethyl-4-phenyldiazenylanilino)ethanol
CID 23460666
N,N-diethylaniline
CID 7061
N-ethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N-propylaniline
CID 58601753
N,N-diethyl-4-[[4-(pentafluoro-λ6-sulfanyl)phenyl]diazenyl]aniline
CID 122360924

Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline?
The IUPAC name of N-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline (CID 102500978) is N-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline.
What is the SMILES notation for N-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline?
The canonical SMILES for N-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline is CCN(CCP(c1ccccc1)c1ccccc1)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of N-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline?
The InChIKey is YPOWDVFKQMFIOV-QVIHXGFCSA-N. The full InChI is InChI=1S/C28H28N3P/c1-2-31(26-20-18-25(19-21-26)30-29-24-12-6-3-7-13-24)22-23-32(27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-21H,2,22-23H2,1H3/b30-29+.
What are the key properties of N-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline?
N-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline has a molecular weight of 437.53 g/mol, XLogP of 7.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline is sourced from PubChem (CID 102500978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).