N-[4-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine

C28H24N2 — CID 11315240

IUPACN-[4-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine
SMILESC(=N/c1ccc(CCc2ccc(/N=C/c3ccccc3)cc2)cc1)\c1ccccc1
InChIInChI=1S/C28H24N2/c1-3-7-25(8-4-1)21-29-27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)30-22-26-9-5-2-6-10-26/h1-10,13-22H,11-12H2/b29-21+,30-22+
InChIKeyJUFAZSABJKCEDA-VFIVCBTMSA-N
MW388.51 g/mol
LogP6.97
Rot. Bonds7

About N-[4-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine

N-[4-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine (PubChem CID 11315240) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[4-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[4-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine
PubChem CID11315240
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC NameN-[4-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine
SMILESC(=N/c1ccc(CCc2ccc(/N=C/c3ccccc3)cc2)cc1)\c1ccccc1
InChIInChI=1S/C28H24N2/c1-3-7-25(8-4-1)21-29-27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)30-22-26-9-5-2-6-10-26/h1-10,13-22H,11-12H2/b29-21+,30-22+
InChIKeyJUFAZSABJKCEDA-VFIVCBTMSA-N
XLogP6.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine?
The IUPAC name of N-[4-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine (CID 11315240) is N-[4-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine.
What is the SMILES notation for N-[4-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine?
The canonical SMILES for N-[4-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine is C(=N/c1ccc(CCc2ccc(/N=C/c3ccccc3)cc2)cc1)\c1ccccc1.
What is the InChIKey of N-[4-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine?
The InChIKey is JUFAZSABJKCEDA-VFIVCBTMSA-N. The full InChI is InChI=1S/C28H24N2/c1-3-7-25(8-4-1)21-29-27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)30-22-26-9-5-2-6-10-26/h1-10,13-22H,11-12H2/b29-21+,30-22+.
What are the key properties of N-[4-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine?
N-[4-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine has a molecular weight of 388.51 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine is sourced from PubChem (CID 11315240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).