N,N-dibenzyl-4-(2-phenylethenyl)aniline

C28H25N — CID 54154139

IUPACN,N-dibenzyl-4-(2-phenylethenyl)aniline
SMILESC(=Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C28H25N/c1-4-10-24(11-5-1)16-17-25-18-20-28(21-19-25)29(22-26-12-6-2-7-13-26)23-27-14-8-3-9-15-27/h1-21H,22-23H2
InChIKeyOJVNNLDLHOFPFQ-UHFFFAOYSA-N
MW375.52 g/mol
LogP7.06
Rot. Bonds7

About N,N-dibenzyl-4-(2-phenylethenyl)aniline

N,N-dibenzyl-4-(2-phenylethenyl)aniline (PubChem CID 54154139) has the molecular formula C28H25N and a molecular weight of 375.52 g/mol. Its IUPAC name is N,N-dibenzyl-4-(2-phenylethenyl)aniline.

Molecular Properties

Compound NameN,N-dibenzyl-4-(2-phenylethenyl)aniline
PubChem CID54154139
Molecular FormulaC28H25N
Molecular Weight375.52 g/mol
Exact Mass375.20
IUPAC NameN,N-dibenzyl-4-(2-phenylethenyl)aniline
SMILESC(=Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C28H25N/c1-4-10-24(11-5-1)16-17-25-18-20-28(21-19-25)29(22-26-12-6-2-7-13-26)23-27-14-8-3-9-15-27/h1-21H,22-23H2
InChIKeyOJVNNLDLHOFPFQ-UHFFFAOYSA-N
XLogP7.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N,N-dibenzylaniline
CID 139071697
N,N-bis[(4-ethenylphenyl)methyl]aniline
CID 86166362
N,N-bis(2-chloroethyl)-4-[(E)-2-phenylethenyl]aniline
CID 6303998
N,N-dibenzyl-4-(1,4,4-triphenylbuta-1,3-dienyl)aniline
CID 76569660
N,N-dibenzylpyridin-4-amine
CID 15006775
4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59922719
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine
CID 2394003
N-phenyl-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]-4-(2-phenylethyl)aniline
CID 59987784
N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline
CID 142549273
N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
CID 173357254
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-(2-phenylethenyl)aniline?
The IUPAC name of N,N-dibenzyl-4-(2-phenylethenyl)aniline (CID 54154139) is N,N-dibenzyl-4-(2-phenylethenyl)aniline.
What is the SMILES notation for N,N-dibenzyl-4-(2-phenylethenyl)aniline?
The canonical SMILES for N,N-dibenzyl-4-(2-phenylethenyl)aniline is C(=Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N,N-dibenzyl-4-(2-phenylethenyl)aniline?
The InChIKey is OJVNNLDLHOFPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N/c1-4-10-24(11-5-1)16-17-25-18-20-28(21-19-25)29(22-26-12-6-2-7-13-26)23-27-14-8-3-9-15-27/h1-21H,22-23H2.
What are the key properties of N,N-dibenzyl-4-(2-phenylethenyl)aniline?
N,N-dibenzyl-4-(2-phenylethenyl)aniline has a molecular weight of 375.52 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-(2-phenylethenyl)aniline is sourced from PubChem (CID 54154139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).