3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide

C40H31N3 — CID 145000761

IUPAC3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide
SMILESC=C(/N=C(/N=C(\N)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C40H31N3/c1-29(33-20-11-21-34(26-33)30-14-5-2-6-15-30)42-40(38-25-13-23-36(28-38)32-18-9-4-10-19-32)43-39(41)37-24-12-22-35(27-37)31-16-7-3-8-17-31/h2-28H,1H2,(H2,41,42,43)
InChIKeyRIPPQWBKEMWKCC-UHFFFAOYSA-N
MW553.71 g/mol
LogP9.51
Rot. Bonds7

About 3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide

3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide (PubChem CID 145000761) has the molecular formula C40H31N3 and a molecular weight of 553.71 g/mol. Its IUPAC name is 3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide
PubChem CID145000761
Molecular FormulaC40H31N3
Molecular Weight553.71 g/mol
Exact Mass553.25
IUPAC Name3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide
SMILESC=C(/N=C(/N=C(\N)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C40H31N3/c1-29(33-20-11-21-34(26-33)30-14-5-2-6-15-30)42-40(38-25-13-23-36(28-38)32-18-9-4-10-19-32)43-39(41)37-24-12-22-35(27-37)31-16-7-3-8-17-31/h2-28H,1H2,(H2,41,42,43)
InChIKeyRIPPQWBKEMWKCC-UHFFFAOYSA-N
XLogP9.51
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.71
LogP ≤ 59.51
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'}

Analyze 3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]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

3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide
CID 142515838
N'-hydroxy-3-phenylbenzenecarboximidamide
CID 6023857
3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide
CID 88979108
N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide
CID 167132034
N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 155691013
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]fluorene-2-carboximidamide
CID 135247116
N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
CID 171052549
N'-[N-[1-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]ethenyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 89016678
3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane
CID 145257325
N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide
CID 144645775
N'-benzyl-3-phenylbenzenecarboximidamide
CID 142527130
N'-[N-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxoprop-1-en-2-yl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 89036030

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide?
The IUPAC name of 3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide (CID 145000761) is 3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide.
What is the SMILES notation for 3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide?
The canonical SMILES for 3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide is C=C(/N=C(/N=C(\N)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide?
The InChIKey is RIPPQWBKEMWKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N3/c1-29(33-20-11-21-34(26-33)30-14-5-2-6-15-30)42-40(38-25-13-23-36(28-38)32-18-9-4-10-19-32)43-39(41)37-24-12-22-35(27-37)31-16-7-3-8-17-31/h2-28H,1H2,(H2,41,42,43).
What are the key properties of 3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide?
3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide has a molecular weight of 553.71 g/mol, XLogP of 9.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide is sourced from PubChem (CID 145000761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).