N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline

C28H29N2P — CID 134935584

IUPACN,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline
SMILESCCN(CC)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H29N2P/c1-3-30(4-2)25-22-20-24(21-23-25)29-31(26-14-8-5-9-15-26,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-23H,3-4H2,1-2H3
InChIKeyMUCJMWGDSAZLTO-UHFFFAOYSA-N
MW424.53 g/mol
LogP6.34
Rot. Bonds7

About N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline

N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline (PubChem CID 134935584) has the molecular formula C28H29N2P and a molecular weight of 424.53 g/mol. Its IUPAC name is N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline
PubChem CID134935584
Molecular FormulaC28H29N2P
Molecular Weight424.53 g/mol
Exact Mass424.21
IUPAC NameN,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline
SMILESCCN(CC)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H29N2P/c1-3-30(4-2)25-22-20-24(21-23-25)29-31(26-14-8-5-9-15-26,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-23H,3-4H2,1-2H3
InChIKeyMUCJMWGDSAZLTO-UHFFFAOYSA-N
XLogP6.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylaniline
CID 7061
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethylaniline;hydrazine
CID 161037544
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
(N-ethyl-4-phenyldiazenylanilino)methanol
CID 59882366
CID 161146216
CID 161146216
dichloromethane;N,N-diethylaniline
CID 157472052
4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid
CID 11452277
boric acid;dodecakis(N,N-diethylaniline)
CID 172757601
N,N-diethyl-4-triphenylplumbylaniline
CID 4999017
CID 21439516
CID 21439516
4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline
CID 59366408

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline?
The IUPAC name of N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline (CID 134935584) is N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline.
What is the SMILES notation for N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline?
The canonical SMILES for N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline is CCN(CC)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline?
The InChIKey is MUCJMWGDSAZLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N2P/c1-3-30(4-2)25-22-20-24(21-23-25)29-31(26-14-8-5-9-15-26,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-23H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline?
N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline has a molecular weight of 424.53 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline is sourced from PubChem (CID 134935584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).