4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide

C27H24N2 — CID 145265295

IUPAC4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
SMILESC=N/C(=N\Cc1ccc(-c2ccccc2)cc1)c1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C27H24N2/c1-28-27(26-18-16-25(17-19-26)23-10-6-3-7-11-23)29-20-21-12-14-24(15-13-21)22-8-4-2-5-9-22/h2,4-6,8-19H,1,3,7,20H2/b29-27-
InChIKeyVZGZSMKURIGSIV-OHYPFYFLSA-N
MW376.50 g/mol
LogP6.73
Rot. Bonds5

About 4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide

4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide (PubChem CID 145265295) has the molecular formula C27H24N2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
PubChem CID145265295
Molecular FormulaC27H24N2
Molecular Weight376.50 g/mol
Exact Mass376.19
IUPAC Name4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
SMILESC=N/C(=N\Cc1ccc(-c2ccccc2)cc1)c1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C27H24N2/c1-28-27(26-18-16-25(17-19-26)23-10-6-3-7-11-23)29-20-21-12-14-24(15-13-21)22-8-4-2-5-9-22/h2,4-6,8-19H,1,3,7,20H2/b29-27-
InChIKeyVZGZSMKURIGSIV-OHYPFYFLSA-N
XLogP6.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.73
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'}

Analyze 4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide
CID 144816078
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
1-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-methyl-4-(4-phenylphenyl)butan-1-one
CID 143289917
1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene
CID 144527503
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 142451993
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
1-cyclohexa-1,5-dien-1-yl-4-(iodomethyl)benzene
CID 70308724
N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide
CID 142515914
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine
CID 146207336
N-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide
CID 174316786
N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide
CID 142425048
N'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide
CID 166096417

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide (CID 145265295) is 4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide is C=N/C(=N\Cc1ccc(-c2ccccc2)cc1)c1ccc(C2=CCCC=C2)cc1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide?
The InChIKey is VZGZSMKURIGSIV-OHYPFYFLSA-N. The full InChI is InChI=1S/C27H24N2/c1-28-27(26-18-16-25(17-19-26)23-10-6-3-7-11-23)29-20-21-12-14-24(15-13-21)22-8-4-2-5-9-22/h2,4-6,8-19H,1,3,7,20H2/b29-27-.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide?
4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide has a molecular weight of 376.50 g/mol, XLogP of 6.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 145265295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).