N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide

C28H26N2 — CID 142515914

IUPACN'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide
SMILESC=C/C(=C\C=C/C)c1ccc(-c2ccc(/C(N=C)=N/Cc3ccccc3)cc2)cc1
InChIInChI=1S/C28H26N2/c1-4-6-12-23(5-2)24-13-15-25(16-14-24)26-17-19-27(20-18-26)28(29-3)30-21-22-10-8-7-9-11-22/h4-20H,2-3,21H2,1H3/b6-4-,23-12+,30-28-
InChIKeyDASOFPRLSOSTJE-YDZOWVSMSA-N
MW390.53 g/mol
LogP7.15
Rot. Bonds7

About N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide

N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide (PubChem CID 142515914) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide
PubChem CID142515914
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC NameN'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide
SMILESC=C/C(=C\C=C/C)c1ccc(-c2ccc(/C(N=C)=N/Cc3ccccc3)cc2)cc1
InChIInChI=1S/C28H26N2/c1-4-6-12-23(5-2)24-13-15-25(16-14-24)26-17-19-27(20-18-26)28(29-3)30-21-22-10-8-7-9-11-22/h4-20H,2-3,21H2,1H3/b6-4-,23-12+,30-28-
InChIKeyDASOFPRLSOSTJE-YDZOWVSMSA-N
XLogP7.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide?
The IUPAC name of N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide (CID 142515914) is N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide.
What is the SMILES notation for N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide?
The canonical SMILES for N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide is C=C/C(=C\C=C/C)c1ccc(-c2ccc(/C(N=C)=N/Cc3ccccc3)cc2)cc1.
What is the InChIKey of N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide?
The InChIKey is DASOFPRLSOSTJE-YDZOWVSMSA-N. The full InChI is InChI=1S/C28H26N2/c1-4-6-12-23(5-2)24-13-15-25(16-14-24)26-17-19-27(20-18-26)28(29-3)30-21-22-10-8-7-9-11-22/h4-20H,2-3,21H2,1H3/b6-4-,23-12+,30-28-.
What are the key properties of N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide?
N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide has a molecular weight of 390.53 g/mol, XLogP of 7.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide is sourced from PubChem (CID 142515914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).