1-N,2-N-dinaphthalen-1-ylacenaphthylene-1,2-diimine

C32H20N2 — CID 58251389

IUPAC1-N,2-N-dinaphthalen-1-ylacenaphthylene-1,2-diimine
SMILESc1ccc2c(/N=C3C(=N\c4cccc5ccccc45)\c4cccc5cccc\3c45)cccc2c1
InChIInChI=1S/C32H20N2/c1-3-15-24-21(9-1)11-7-19-28(24)33-31-26-17-5-13-23-14-6-18-27(30(23)26)32(31)34-29-20-8-12-22-10-2-4-16-25(22)29/h1-20H/b33-31-,34-32+
InChIKeyVJIAPDJCXRKKJZ-IUQQBYGBSA-N
MW432.53 g/mol
LogP8.40
Rot. Bonds2

About 1-N,2-N-dinaphthalen-1-ylacenaphthylene-1,2-diimine

1-N,2-N-dinaphthalen-1-ylacenaphthylene-1,2-diimine (PubChem CID 58251389) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-N,2-N-dinaphthalen-1-ylacenaphthylene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-dinaphthalen-1-ylacenaphthylene-1,2-diimine
PubChem CID58251389
Molecular FormulaC32H20N2
Molecular Weight432.53 g/mol
Exact Mass432.16
IUPAC Name1-N,2-N-dinaphthalen-1-ylacenaphthylene-1,2-diimine
SMILESc1ccc2c(/N=C3C(=N\c4cccc5ccccc45)\c4cccc5cccc\3c45)cccc2c1
InChIInChI=1S/C32H20N2/c1-3-15-24-21(9-1)11-7-19-28(24)33-31-26-17-5-13-23-14-6-18-27(30(23)26)32(31)34-29-20-8-12-22-10-2-4-16-25(22)29/h1-20H/b33-31-,34-32+
InChIKeyVJIAPDJCXRKKJZ-IUQQBYGBSA-N
XLogP8.40
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 58.40
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-dinaphthalen-1-ylacenaphthylene-1,2-diimine?
The IUPAC name of 1-N,2-N-dinaphthalen-1-ylacenaphthylene-1,2-diimine (CID 58251389) is 1-N,2-N-dinaphthalen-1-ylacenaphthylene-1,2-diimine.
What is the SMILES notation for 1-N,2-N-dinaphthalen-1-ylacenaphthylene-1,2-diimine?
The canonical SMILES for 1-N,2-N-dinaphthalen-1-ylacenaphthylene-1,2-diimine is c1ccc2c(/N=C3C(=N\c4cccc5ccccc45)\c4cccc5cccc\3c45)cccc2c1.
What is the InChIKey of 1-N,2-N-dinaphthalen-1-ylacenaphthylene-1,2-diimine?
The InChIKey is VJIAPDJCXRKKJZ-IUQQBYGBSA-N. The full InChI is InChI=1S/C32H20N2/c1-3-15-24-21(9-1)11-7-19-28(24)33-31-26-17-5-13-23-14-6-18-27(30(23)26)32(31)34-29-20-8-12-22-10-2-4-16-25(22)29/h1-20H/b33-31-,34-32+.
What are the key properties of 1-N,2-N-dinaphthalen-1-ylacenaphthylene-1,2-diimine?
1-N,2-N-dinaphthalen-1-ylacenaphthylene-1,2-diimine has a molecular weight of 432.53 g/mol, XLogP of 8.40, 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-dinaphthalen-1-ylacenaphthylene-1,2-diimine is sourced from PubChem (CID 58251389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).