(E)-N,4-diphenylbut-2-en-1-imine

C16H15N — CID 58165742

IUPAC(E)-N,4-diphenylbut-2-en-1-imine
SMILESC(=C/Cc1ccccc1)\C=N\c1ccccc1
InChIInChI=1S/C16H15N/c1-3-9-15(10-4-1)11-7-8-14-17-16-12-5-2-6-13-16/h1-10,12-14H,11H2/b8-7+,17-14+
InChIKeyOOLYHUZIKFQOPC-ZFKNLEDPSA-N
MW221.30 g/mol
LogP4.19
Rot. Bonds4

About (E)-N,4-diphenylbut-2-en-1-imine

(E)-N,4-diphenylbut-2-en-1-imine (PubChem CID 58165742) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is (E)-N,4-diphenylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N,4-diphenylbut-2-en-1-imine
PubChem CID58165742
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name(E)-N,4-diphenylbut-2-en-1-imine
SMILESC(=C/Cc1ccccc1)\C=N\c1ccccc1
InChIInChI=1S/C16H15N/c1-3-9-15(10-4-1)11-7-8-14-17-16-12-5-2-6-13-16/h1-10,12-14H,11H2/b8-7+,17-14+
InChIKeyOOLYHUZIKFQOPC-ZFKNLEDPSA-N
XLogP4.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol
CID 123241914
(E)-N,N'-diphenylpent-2-ene-1,5-diimine
CID 5473746
6-phenylhexa-2,4-dienylbenzene;titanium
CID 161467723
carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+)
CID 173208197
(Z)-3-phenyliminoprop-1-en-1-amine
CID 118014655
(2E,4E)-N-phenylocta-2,4,7-trien-1-imine
CID 140586611
5-bromopenta-2,4-dienylbenzene
CID 71379165
5-chloropent-2-enylbenzene
CID 79603176
N-phenylpenta-2,4-dien-1-imine
CID 123454989
(Z)-N,3-diphenylprop-2-en-1-imine
CID 40507555
bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine
CID 22968105
N-methyl-N'-phenylethane-1,2-diimine
CID 21014566

Frequently Asked Questions

What is the IUPAC name of (E)-N,4-diphenylbut-2-en-1-imine?
The IUPAC name of (E)-N,4-diphenylbut-2-en-1-imine (CID 58165742) is (E)-N,4-diphenylbut-2-en-1-imine.
What is the SMILES notation for (E)-N,4-diphenylbut-2-en-1-imine?
The canonical SMILES for (E)-N,4-diphenylbut-2-en-1-imine is C(=C/Cc1ccccc1)\C=N\c1ccccc1.
What is the InChIKey of (E)-N,4-diphenylbut-2-en-1-imine?
The InChIKey is OOLYHUZIKFQOPC-ZFKNLEDPSA-N. The full InChI is InChI=1S/C16H15N/c1-3-9-15(10-4-1)11-7-8-14-17-16-12-5-2-6-13-16/h1-10,12-14H,11H2/b8-7+,17-14+.
What are the key properties of (E)-N,4-diphenylbut-2-en-1-imine?
(E)-N,4-diphenylbut-2-en-1-imine has a molecular weight of 221.30 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,4-diphenylbut-2-en-1-imine is sourced from PubChem (CID 58165742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).