(2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine

C19H19N — CID 176754936

IUPAC(2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine
SMILES[H]/N=C/C(=C(\C=C(/C)c1ccccc1)C([2H])([2H])[2H])c1ccccc1
InChIInChI=1S/C19H19N/c1-15(17-9-5-3-6-10-17)13-16(2)19(14-20)18-11-7-4-8-12-18/h3-14,20H,1-2H3/b15-13+,19-16+,20-14+/i2D3
InChIKeyDEZHQOAJUUSGEX-DWFSPVBISA-N
MW264.39 g/mol
LogP5.21
Rot. Bonds5

About (2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine

(2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine (PubChem CID 176754936) has the molecular formula C19H19N and a molecular weight of 264.39 g/mol. Its IUPAC name is (2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine
PubChem CID176754936
Molecular FormulaC19H19N
Molecular Weight264.39 g/mol
Exact Mass264.17
IUPAC Name(2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine
SMILES[H]/N=C/C(=C(\C=C(/C)c1ccccc1)C([2H])([2H])[2H])c1ccccc1
InChIInChI=1S/C19H19N/c1-15(17-9-5-3-6-10-17)13-16(2)19(14-20)18-11-7-4-8-12-18/h3-14,20H,1-2H3/b15-13+,19-16+,20-14+/i2D3
InChIKeyDEZHQOAJUUSGEX-DWFSPVBISA-N
XLogP5.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.39
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(Z)-3-phenylbut-2-en-1-imine
CID 142990186
ethane;(Z)-4-imino-2,3-diphenylbut-2-enamide
CID 143625554
ethane;(2E,4E)-4-methoxy-2,7-dimethyl-6-phenylocta-2,4,6-trien-1-imine
CID 142350882
4-phenylpent-3-en-2-one
CID 594380
ethane;4-phenylpent-3-en-2-one
CID 123324566
3-phenylbut-2-enoate
CID 6995278
(Z)-2-phenylbut-2-en-1-imine;propane
CID 166165004
(3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol
CID 170270040
1-bromoprop-1-en-2-ylbenzene
CID 5152757
[(E)-1-chloroprop-1-en-2-yl]benzene
CID 12504275
1-iodoprop-1-en-2-ylbenzene
CID 54065087
(2E,4E)-3-[4-(1-deuterio-3,3,4,4-tetramethylcyclopentyl)phenyl]-5-phenylhexa-2,4-dien-1-imine
CID 166503018

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine (CID 176754936) is (2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine is [H]/N=C/C(=C(\C=C(/C)c1ccccc1)C([2H])([2H])[2H])c1ccccc1.
What is the InChIKey of (2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine?
The InChIKey is DEZHQOAJUUSGEX-DWFSPVBISA-N. The full InChI is InChI=1S/C19H19N/c1-15(17-9-5-3-6-10-17)13-16(2)19(14-20)18-11-7-4-8-12-18/h3-14,20H,1-2H3/b15-13+,19-16+,20-14+/i2D3.
What are the key properties of (2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine?
(2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine has a molecular weight of 264.39 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine is sourced from PubChem (CID 176754936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).