N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine

C26H20N2S — CID 633778

IUPACN-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine
SMILESC(=N/c1ccc(Sc2ccc(/N=C/c3ccccc3)cc2)cc1)\c1ccccc1
InChIInChI=1S/C26H20N2S/c1-3-7-21(8-4-1)19-27-23-11-15-25(16-12-23)29-26-17-13-24(14-18-26)28-20-22-9-5-2-6-10-22/h1-20H/b27-19+,28-20+
InChIKeyFHSJCKYAXMJVKF-MKYUKRCKSA-N
MW392.53 g/mol
LogP7.34
Rot. Bonds6

About N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine

N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine (PubChem CID 633778) has the molecular formula C26H20N2S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine
PubChem CID633778
Molecular FormulaC26H20N2S
Molecular Weight392.53 g/mol
Exact Mass392.13
IUPAC NameN-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine
SMILESC(=N/c1ccc(Sc2ccc(/N=C/c3ccccc3)cc2)cc1)\c1ccccc1
InChIInChI=1S/C26H20N2S/c1-3-7-21(8-4-1)19-27-23-11-15-25(16-12-23)29-26-17-13-24(14-18-26)28-20-22-9-5-2-6-10-22/h1-20H/b27-19+,28-20+
InChIKeyFHSJCKYAXMJVKF-MKYUKRCKSA-N
XLogP7.34
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine?
The IUPAC name of N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine (CID 633778) is N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine.
What is the SMILES notation for N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine?
The canonical SMILES for N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine is C(=N/c1ccc(Sc2ccc(/N=C/c3ccccc3)cc2)cc1)\c1ccccc1.
What is the InChIKey of N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine?
The InChIKey is FHSJCKYAXMJVKF-MKYUKRCKSA-N. The full InChI is InChI=1S/C26H20N2S/c1-3-7-21(8-4-1)19-27-23-11-15-25(16-12-23)29-26-17-13-24(14-18-26)28-20-22-9-5-2-6-10-22/h1-20H/b27-19+,28-20+.
What are the key properties of N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine?
N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine has a molecular weight of 392.53 g/mol, XLogP of 7.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine is sourced from PubChem (CID 633778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).