1-N,2-N-bis(4-methylphenyl)acenaphthylene-1,2-diimine

C26H20N2 — CID 10904490

IUPAC1-N,2-N-bis(4-methylphenyl)acenaphthylene-1,2-diimine
SMILESCc1ccc(/N=C2C(=N\c3ccc(C)cc3)\c3cccc4cccc\2c34)cc1
InChIInChI=1S/C26H20N2/c1-17-9-13-20(14-10-17)27-25-22-7-3-5-19-6-4-8-23(24(19)22)26(25)28-21-15-11-18(2)12-16-21/h3-16H,1-2H3/b27-25-,28-26+
InChIKeyJDYQGPLYXARFOK-ZQZMJUSDSA-N
MW360.46 g/mol
LogP6.71
Rot. Bonds2

About 1-N,2-N-bis(4-methylphenyl)acenaphthylene-1,2-diimine

1-N,2-N-bis(4-methylphenyl)acenaphthylene-1,2-diimine (PubChem CID 10904490) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-N,2-N-bis(4-methylphenyl)acenaphthylene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-bis(4-methylphenyl)acenaphthylene-1,2-diimine
PubChem CID10904490
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name1-N,2-N-bis(4-methylphenyl)acenaphthylene-1,2-diimine
SMILESCc1ccc(/N=C2C(=N\c3ccc(C)cc3)\c3cccc4cccc\2c34)cc1
InChIInChI=1S/C26H20N2/c1-17-9-13-20(14-10-17)27-25-22-7-3-5-19-6-4-8-23(24(19)22)26(25)28-21-15-11-18(2)12-16-21/h3-16H,1-2H3/b27-25-,28-26+
InChIKeyJDYQGPLYXARFOK-ZQZMJUSDSA-N
XLogP6.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(4-methylphenyl)acenaphthylene-1,2-diimine?
The IUPAC name of 1-N,2-N-bis(4-methylphenyl)acenaphthylene-1,2-diimine (CID 10904490) is 1-N,2-N-bis(4-methylphenyl)acenaphthylene-1,2-diimine.
What is the SMILES notation for 1-N,2-N-bis(4-methylphenyl)acenaphthylene-1,2-diimine?
The canonical SMILES for 1-N,2-N-bis(4-methylphenyl)acenaphthylene-1,2-diimine is Cc1ccc(/N=C2C(=N\c3ccc(C)cc3)\c3cccc4cccc\2c34)cc1.
What is the InChIKey of 1-N,2-N-bis(4-methylphenyl)acenaphthylene-1,2-diimine?
The InChIKey is JDYQGPLYXARFOK-ZQZMJUSDSA-N. The full InChI is InChI=1S/C26H20N2/c1-17-9-13-20(14-10-17)27-25-22-7-3-5-19-6-4-8-23(24(19)22)26(25)28-21-15-11-18(2)12-16-21/h3-16H,1-2H3/b27-25-,28-26+.
What are the key properties of 1-N,2-N-bis(4-methylphenyl)acenaphthylene-1,2-diimine?
1-N,2-N-bis(4-methylphenyl)acenaphthylene-1,2-diimine has a molecular weight of 360.46 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(4-methylphenyl)acenaphthylene-1,2-diimine is sourced from PubChem (CID 10904490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).