N-[2-[[2-(benzylideneamino)phenyl]diselanyl]phenyl]-1-phenylmethanimine

C26H20N2Se2 — CID 5272996

IUPACN-[2-[[2-(benzylideneamino)phenyl]diselanyl]phenyl]-1-phenylmethanimine
SMILESC(=N/c1ccccc1[Se][Se]c1ccccc1/N=C/c1ccccc1)\c1ccccc1
InChIInChI=1S/C26H20N2Se2/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)29-30-26-18-10-8-16-24(26)28-20-22-13-5-2-6-14-22/h1-20H/b27-19+,28-20+
InChIKeyQDZKYBFCLVALJZ-MKYUKRCKSA-N
MW518.38 g/mol
LogP4.46
Rot. Bonds7

About N-[2-[[2-(benzylideneamino)phenyl]diselanyl]phenyl]-1-phenylmethanimine

N-[2-[[2-(benzylideneamino)phenyl]diselanyl]phenyl]-1-phenylmethanimine (PubChem CID 5272996) has the molecular formula C26H20N2Se2 and a molecular weight of 518.38 g/mol. Its IUPAC name is N-[2-[[2-(benzylideneamino)phenyl]diselanyl]phenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[2-[[2-(benzylideneamino)phenyl]diselanyl]phenyl]-1-phenylmethanimine
PubChem CID5272996
Molecular FormulaC26H20N2Se2
Molecular Weight518.38 g/mol
Exact Mass520.00
IUPAC NameN-[2-[[2-(benzylideneamino)phenyl]diselanyl]phenyl]-1-phenylmethanimine
SMILESC(=N/c1ccccc1[Se][Se]c1ccccc1/N=C/c1ccccc1)\c1ccccc1
InChIInChI=1S/C26H20N2Se2/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)29-30-26-18-10-8-16-24(26)28-20-22-13-5-2-6-14-22/h1-20H/b27-19+,28-20+
InChIKeyQDZKYBFCLVALJZ-MKYUKRCKSA-N
XLogP4.46
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(benzylideneamino)phenyl]diselanyl]phenyl]-1-phenylmethanimine?
The IUPAC name of N-[2-[[2-(benzylideneamino)phenyl]diselanyl]phenyl]-1-phenylmethanimine (CID 5272996) is N-[2-[[2-(benzylideneamino)phenyl]diselanyl]phenyl]-1-phenylmethanimine.
What is the SMILES notation for N-[2-[[2-(benzylideneamino)phenyl]diselanyl]phenyl]-1-phenylmethanimine?
The canonical SMILES for N-[2-[[2-(benzylideneamino)phenyl]diselanyl]phenyl]-1-phenylmethanimine is C(=N/c1ccccc1[Se][Se]c1ccccc1/N=C/c1ccccc1)\c1ccccc1.
What is the InChIKey of N-[2-[[2-(benzylideneamino)phenyl]diselanyl]phenyl]-1-phenylmethanimine?
The InChIKey is QDZKYBFCLVALJZ-MKYUKRCKSA-N. The full InChI is InChI=1S/C26H20N2Se2/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)29-30-26-18-10-8-16-24(26)28-20-22-13-5-2-6-14-22/h1-20H/b27-19+,28-20+.
What are the key properties of N-[2-[[2-(benzylideneamino)phenyl]diselanyl]phenyl]-1-phenylmethanimine?
N-[2-[[2-(benzylideneamino)phenyl]diselanyl]phenyl]-1-phenylmethanimine has a molecular weight of 518.38 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(benzylideneamino)phenyl]diselanyl]phenyl]-1-phenylmethanimine is sourced from PubChem (CID 5272996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).