1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide

C28H24F2N4 — CID 4105169

IUPAC1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide
SMILESCc1ccc(/N=C(Nc2ccc(F)cc2)/C(=N\c2ccc(C)cc2)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C28H24F2N4/c1-19-3-11-23(12-4-19)31-27(33-25-15-7-21(29)8-16-25)28(32-24-13-5-20(2)6-14-24)34-26-17-9-22(30)10-18-26/h3-18H,1-2H3,(H,31,33)(H,32,34)
InChIKeyOUGIMUCBBCWHST-UHFFFAOYSA-N
MW454.52 g/mol
LogP7.57
Rot. Bonds4

About 1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide

1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide (PubChem CID 4105169) has the molecular formula C28H24F2N4 and a molecular weight of 454.52 g/mol. Its IUPAC name is 1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide.

Molecular Properties

Compound Name1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide
PubChem CID4105169
Molecular FormulaC28H24F2N4
Molecular Weight454.52 g/mol
Exact Mass454.20
IUPAC Name1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide
SMILESCc1ccc(/N=C(Nc2ccc(F)cc2)/C(=N\c2ccc(C)cc2)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C28H24F2N4/c1-19-3-11-23(12-4-19)31-27(33-25-15-7-21(29)8-16-25)28(32-24-13-5-20(2)6-14-24)34-26-17-9-22(30)10-18-26/h3-18H,1-2H3,(H,31,33)(H,32,34)
InChIKeyOUGIMUCBBCWHST-UHFFFAOYSA-N
XLogP7.57
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.52
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide?
The IUPAC name of 1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide (CID 4105169) is 1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide.
What is the SMILES notation for 1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide?
The canonical SMILES for 1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide is Cc1ccc(/N=C(Nc2ccc(F)cc2)/C(=N\c2ccc(C)cc2)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide?
The InChIKey is OUGIMUCBBCWHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N4/c1-19-3-11-23(12-4-19)31-27(33-25-15-7-21(29)8-16-25)28(32-24-13-5-20(2)6-14-24)34-26-17-9-22(30)10-18-26/h3-18H,1-2H3,(H,31,33)(H,32,34).
What are the key properties of 1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide?
1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide has a molecular weight of 454.52 g/mol, XLogP of 7.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide is sourced from PubChem (CID 4105169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).