1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine

C32H26N2S — CID 20701787

IUPAC1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine
SMILESC/C(=N\c1ccccc1-c1ccccc1)c1ccc(/C(C)=N/c2ccccc2-c2ccccc2)s1
InChIInChI=1S/C32H26N2S/c1-23(33-29-19-11-9-17-27(29)25-13-5-3-6-14-25)31-21-22-32(35-31)24(2)34-30-20-12-10-18-28(30)26-15-7-4-8-16-26/h3-22H,1-2H3/b33-23+,34-24+
InChIKeyPTZXVIKFMOYBJD-IENBMRAWSA-N
MW470.64 g/mol
LogP9.36
Rot. Bonds6

About 1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine

1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine (PubChem CID 20701787) has the molecular formula C32H26N2S and a molecular weight of 470.64 g/mol. Its IUPAC name is 1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine.

Molecular Properties

Compound Name1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine
PubChem CID20701787
Molecular FormulaC32H26N2S
Molecular Weight470.64 g/mol
Exact Mass470.18
IUPAC Name1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine
SMILESC/C(=N\c1ccccc1-c1ccccc1)c1ccc(/C(C)=N/c2ccccc2-c2ccccc2)s1
InChIInChI=1S/C32H26N2S/c1-23(33-29-19-11-9-17-27(29)25-13-5-3-6-14-25)31-21-22-32(35-31)24(2)34-30-20-12-10-18-28(30)26-15-7-4-8-16-26/h3-22H,1-2H3/b33-23+,34-24+
InChIKeyPTZXVIKFMOYBJD-IENBMRAWSA-N
XLogP9.36
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.64
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine
CID 58927833
2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel
CID 140654018
1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine
CID 101171806
4-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 135728590
imino-(2-phenylphenyl)iminoazanium
CID 6334229
dichloroiron;N-(9H-fluoren-2-yl)-1-[5-[N-(9H-fluoren-2-yl)-C-methylcarbonimidoyl]thiophen-2-yl]ethanimine
CID 20701979
1,3-dimethyl-N-(2-phenylphenyl)imidazolidin-2-imine
CID 54173339
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine
CID 140654331
2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol
CID 140654343
2-(4-methoxyphenyl)-4-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-5-phenyl-1H-pyrazol-3-one
CID 135687645
N-(2-phenylphenyl)propan-1-imine
CID 70437330

Frequently Asked Questions

What is the IUPAC name of 1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine?
The IUPAC name of 1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine (CID 20701787) is 1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine.
What is the SMILES notation for 1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine?
The canonical SMILES for 1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine is C/C(=N\c1ccccc1-c1ccccc1)c1ccc(/C(C)=N/c2ccccc2-c2ccccc2)s1.
What is the InChIKey of 1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine?
The InChIKey is PTZXVIKFMOYBJD-IENBMRAWSA-N. The full InChI is InChI=1S/C32H26N2S/c1-23(33-29-19-11-9-17-27(29)25-13-5-3-6-14-25)31-21-22-32(35-31)24(2)34-30-20-12-10-18-28(30)26-15-7-4-8-16-26/h3-22H,1-2H3/b33-23+,34-24+.
What are the key properties of 1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine?
1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine has a molecular weight of 470.64 g/mol, XLogP of 9.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine is sourced from PubChem (CID 20701787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).