N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide

C23H22N2 — CID 144868952

IUPACN'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide
SMILESC/C(N)=N\C=C/Cc1cccc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H22N2/c1-18(24)25-16-6-8-19-7-5-11-23(17-19)22-14-12-21(13-15-22)20-9-3-2-4-10-20/h2-7,9-17H,8H2,1H3,(H2,24,25)/b16-6-
InChIKeyYQKDAQJTLISKPD-SOFYXZRVSA-N
MW326.44 g/mol
LogP5.45
Rot. Bonds5

About N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide

N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide (PubChem CID 144868952) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide
PubChem CID144868952
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC NameN'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide
SMILESC/C(N)=N\C=C/Cc1cccc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H22N2/c1-18(24)25-16-6-8-19-7-5-11-23(17-19)22-14-12-21(13-15-22)20-9-3-2-4-10-20/h2-7,9-17H,8H2,1H3,(H2,24,25)/b16-6-
InChIKeyYQKDAQJTLISKPD-SOFYXZRVSA-N
XLogP5.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-aminophenyl)phenyl]acetaldehyde
CID 89033641
(E)-1-(3-phenylphenyl)pent-2-en-2-amine
CID 142087219
1-phenyl-3-propylbenzene
CID 4110465
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
1,4-bis(3-benzylphenyl)benzene
CID 175442136
N'-(2-phenylethenyl)ethanimidamide
CID 54086557
formamide;methyl 2-(3-phenylphenyl)acetate
CID 169199106
1-ethyl-3-phenylbenzene;propane
CID 145466525
ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine
CID 145051761
3-(3-phenylphenyl)propan-1-amine
CID 68886504
1-(3-methylbut-3-enyl)-3-phenylbenzene
CID 143843043
N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide
CID 144645775

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide?
The IUPAC name of N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide (CID 144868952) is N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide?
The canonical SMILES for N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide is C/C(N)=N\C=C/Cc1cccc(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide?
The InChIKey is YQKDAQJTLISKPD-SOFYXZRVSA-N. The full InChI is InChI=1S/C23H22N2/c1-18(24)25-16-6-8-19-7-5-11-23(17-19)22-14-12-21(13-15-22)20-9-3-2-4-10-20/h2-7,9-17H,8H2,1H3,(H2,24,25)/b16-6-.
What are the key properties of N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide?
N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide has a molecular weight of 326.44 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide is sourced from PubChem (CID 144868952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).