(E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine

C21H20N2 — CID 134180301

IUPAC(E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine
SMILESC=CC(=C)/N=C/C(=C\C)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2/c1-4-17(3)22-16-20(5-2)23-21(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h4-16H,1,3H2,2H3/b20-5+,22-16+
InChIKeyRZEQAXXDASLFGD-NXWKQHRLSA-N
MW300.41 g/mol
LogP5.20
Rot. Bonds6

About (E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine

(E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine (PubChem CID 134180301) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is (E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine.

Molecular Properties

Compound Name(E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine
PubChem CID134180301
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name(E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine
SMILESC=CC(=C)/N=C/C(=C\C)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2/c1-4-17(3)22-16-20(5-2)23-21(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h4-16H,1,3H2,2H3/b20-5+,22-16+
InChIKeyRZEQAXXDASLFGD-NXWKQHRLSA-N
XLogP5.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine
CID 126661807
acetaldehyde;buta-1,3-dien-2-ylbenzene
CID 23325207
[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
CID 155717398
1-(benzhydrylideneamino)ethylidenechromium
CID 11463699
N-ethenoxy-1,1-diphenylmethanimine
CID 12982594
[(3Z)-2-iodopenta-1,3-dien-3-yl]benzene
CID 125477418
methanamine;1-phenylprop-2-en-1-one
CID 91395058
N-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine
CID 142217148
benzene;phenol;prop-1-ene
CID 174830652
(3E)-2-phenylpenta-1,3-dien-3-ol
CID 126638860
buta-1,3-diene;buta-1,3-dien-2-ylbenzene
CID 159301078
N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine
CID 145483316

Frequently Asked Questions

What is the IUPAC name of (E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine?
The IUPAC name of (E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine (CID 134180301) is (E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine.
What is the SMILES notation for (E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine?
The canonical SMILES for (E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine is C=CC(=C)/N=C/C(=C\C)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine?
The InChIKey is RZEQAXXDASLFGD-NXWKQHRLSA-N. The full InChI is InChI=1S/C21H20N2/c1-4-17(3)22-16-20(5-2)23-21(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h4-16H,1,3H2,2H3/b20-5+,22-16+.
What are the key properties of (E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine?
(E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine has a molecular weight of 300.41 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine is sourced from PubChem (CID 134180301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).