anisole;N,N'-diphenylmethanediimine

C27H26N2O2 — CID 157139667

IUPACanisole;N,N'-diphenylmethanediimine
SMILESC(=Nc1ccccc1)=Nc1ccccc1.COc1ccccc1.COc1ccccc1
InChIInChI=1S/C13H10N2.2C7H8O/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2*1-8-7-5-3-2-4-6-7/h1-10H;2*2-6H,1H3
InChIKeyAKAVSNJGEKUMCO-UHFFFAOYSA-N
MW410.52 g/mol
LogP7.21
Rot. Bonds4

About anisole;N,N'-diphenylmethanediimine

anisole;N,N'-diphenylmethanediimine (PubChem CID 157139667) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is anisole;N,N'-diphenylmethanediimine.

Molecular Properties

Compound Nameanisole;N,N'-diphenylmethanediimine
PubChem CID157139667
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Nameanisole;N,N'-diphenylmethanediimine
SMILESC(=Nc1ccccc1)=Nc1ccccc1.COc1ccccc1.COc1ccccc1
InChIInChI=1S/C13H10N2.2C7H8O/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2*1-8-7-5-3-2-4-6-7/h1-10H;2*2-6H,1H3
InChIKeyAKAVSNJGEKUMCO-UHFFFAOYSA-N
XLogP7.21
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diphenylmethanediimine;fluoromethane
CID 158642010
chloromethane;N,N'-diphenylmethanediimine
CID 160533177
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007
acetylene;anisole
CID 86033716
anisole;cyanic acid
CID 174663500
anisole;isocyanic acid
CID 175305824
N-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine
CID 10870926
anisole;trifluoroborane
CID 174665057
anisole;carbanide;ethane;methoxymethane;yttrium
CID 162198050
anisole;argon;propane
CID 165043377

Frequently Asked Questions

What is the IUPAC name of anisole;N,N'-diphenylmethanediimine?
The IUPAC name of anisole;N,N'-diphenylmethanediimine (CID 157139667) is anisole;N,N'-diphenylmethanediimine.
What is the SMILES notation for anisole;N,N'-diphenylmethanediimine?
The canonical SMILES for anisole;N,N'-diphenylmethanediimine is C(=Nc1ccccc1)=Nc1ccccc1.COc1ccccc1.COc1ccccc1.
What is the InChIKey of anisole;N,N'-diphenylmethanediimine?
The InChIKey is AKAVSNJGEKUMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.2C7H8O/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2*1-8-7-5-3-2-4-6-7/h1-10H;2*2-6H,1H3.
What are the key properties of anisole;N,N'-diphenylmethanediimine?
anisole;N,N'-diphenylmethanediimine has a molecular weight of 410.52 g/mol, XLogP of 7.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;N,N'-diphenylmethanediimine is sourced from PubChem (CID 157139667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).