N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine

C32H20F4N2O2 — CID 21205042

IUPACN-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine
SMILESFc1c(F)c(Oc2ccc(/N=C/c3ccccc3)cc2)c(F)c(F)c1Oc1ccc(/N=C/c2ccccc2)cc1
InChIInChI=1S/C32H20F4N2O2/c33-27-29(35)32(40-26-17-13-24(14-18-26)38-20-22-9-5-2-6-10-22)30(36)28(34)31(27)39-25-15-11-23(12-16-25)37-19-21-7-3-1-4-8-21/h1-20H/b37-19+,38-20+
InChIKeyNZRNMAHBMRZLDE-RIOOQTRLSA-N
MW540.52 g/mol
LogP9.33
Rot. Bonds8

About N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine

N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine (PubChem CID 21205042) has the molecular formula C32H20F4N2O2 and a molecular weight of 540.52 g/mol. Its IUPAC name is N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine
PubChem CID21205042
Molecular FormulaC32H20F4N2O2
Molecular Weight540.52 g/mol
Exact Mass540.15
IUPAC NameN-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine
SMILESFc1c(F)c(Oc2ccc(/N=C/c3ccccc3)cc2)c(F)c(F)c1Oc1ccc(/N=C/c2ccccc2)cc1
InChIInChI=1S/C32H20F4N2O2/c33-27-29(35)32(40-26-17-13-24(14-18-26)38-20-22-9-5-2-6-10-22)30(36)28(34)31(27)39-25-15-11-23(12-16-25)37-19-21-7-3-1-4-8-21/h1-20H/b37-19+,38-20+
InChIKeyNZRNMAHBMRZLDE-RIOOQTRLSA-N
XLogP9.33
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.52
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-(4-phenoxyphenyl)methanimine
CID 932026
1-(4-phenoxyphenyl)-N-phenylmethanimine
CID 690951
N,1-diphenylmethanimine
CID 10858
N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine
CID 23903931
1-phenyl-N-[4-(4-phenylphenyl)phenyl]methanimine
CID 101426517
1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine
CID 139217442
N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine
CID 10689667
N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 4505600
N-[4-(1-adamantyl)phenyl]-1-(4-phenoxyphenyl)methanimine
CID 4646171
N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine
CID 633778
1-(3-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126205554
N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine
CID 71367718

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine?
The IUPAC name of N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine (CID 21205042) is N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine.
What is the SMILES notation for N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine?
The canonical SMILES for N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine is Fc1c(F)c(Oc2ccc(/N=C/c3ccccc3)cc2)c(F)c(F)c1Oc1ccc(/N=C/c2ccccc2)cc1.
What is the InChIKey of N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine?
The InChIKey is NZRNMAHBMRZLDE-RIOOQTRLSA-N. The full InChI is InChI=1S/C32H20F4N2O2/c33-27-29(35)32(40-26-17-13-24(14-18-26)38-20-22-9-5-2-6-10-22)30(36)28(34)31(27)39-25-15-11-23(12-16-25)37-19-21-7-3-1-4-8-21/h1-20H/b37-19+,38-20+.
What are the key properties of N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine?
N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine has a molecular weight of 540.52 g/mol, XLogP of 9.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine is sourced from PubChem (CID 21205042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).