1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine

C24H18N4 — CID 133053647

IUPAC1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine
SMILESc1ccc(C(=Nc2ccccn2)C(=Nc2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C24H18N4/c1-3-11-19(12-4-1)23(27-21-15-7-9-17-25-21)24(20-13-5-2-6-14-20)28-22-16-8-10-18-26-22/h1-18H
InChIKeyZJUGQVNCGWRGBD-UHFFFAOYSA-N
MW362.44 g/mol
LogP5.42
Rot. Bonds5

About 1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine

1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine (PubChem CID 133053647) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is 1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine.

Molecular Properties

Compound Name1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine
PubChem CID133053647
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine
SMILESc1ccc(C(=Nc2ccccn2)C(=Nc2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C24H18N4/c1-3-11-19(12-4-1)23(27-21-15-7-9-17-25-21)24(20-13-5-2-6-14-20)28-22-16-8-10-18-26-22/h1-18H
InChIKeyZJUGQVNCGWRGBD-UHFFFAOYSA-N
XLogP5.42
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride
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(E)-3,3-diphenyl-N-pyridin-2-ylprop-2-en-1-imine
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methyl (1E)-N-pyridin-2-ylethanimidate
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CID 175066088
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
trifluoromethylsulfonyl (Z,1Z)-3-amino-2-phenyl-N-pyridin-2-ylbut-2-enimidate
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(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine
CID 24939669
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CID 169213528

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine?
The IUPAC name of 1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine (CID 133053647) is 1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine.
What is the SMILES notation for 1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine?
The canonical SMILES for 1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine is c1ccc(C(=Nc2ccccn2)C(=Nc2ccccn2)c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine?
The InChIKey is ZJUGQVNCGWRGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4/c1-3-11-19(12-4-1)23(27-21-15-7-9-17-25-21)24(20-13-5-2-6-14-20)28-22-16-8-10-18-26-22/h1-18H.
What are the key properties of 1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine?
1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine has a molecular weight of 362.44 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine is sourced from PubChem (CID 133053647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).