ADIDI

CAS

6859-32-1

Catalog Number

ACM6859321

Category

Organic Photovoltaic (OPV)

Molecular Weight

636.66

Molecular Formula

C₄₄H₂₀N₄O₂

MSDS COA Spec Sheet

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Specification

Density

1.61

What is the molecular formula of ADIDI?

The molecular formula of ADIDI is C44H20N4O2.

When was ADIDI created and last modified according to PubChem?

ADIDI was created on February 9, 2007, and last modified on December 30, 2023.

What is the molecular weight of ADIDI?

The molecular weight of ADIDI is 636.7 g/mol.

What is the IUPAC Name of ADIDI?

The IUPAC Name of ADIDI is 7,17,28,38-tetrazatridecacyclo[24.16.2.2 2,5 .1 8,12 .1 29,33 .0 3,22 .0 4,19 .0 6,17 .0 23,43 .0 27,38 .0 40,44 .0 16,46 .0 37,45 ]octatetraconta-1(42),2,4,6,8,10,12(46),13,15,19,21,23(43),24,26(44),27,29,31,33(45),34,36,40,47-docosaene-18,39-dione.

What is the InChI of ADIDI?

The InChI of ADIDI is InChI=1S/C44H20N4O2/c49-43-29-19-15-25-24-14-18-28-40-30(44(50)48-34-12-4-8-22-6-2-10-32(36(22)34)46-42(28)48)20-16-26(38(24)40)23-13-17-27(39(29)37(23)25)41-45-31-9-1-5-21-7-3-11-33(35(21)31)47(41)43/h1-20H.

What is the InChIKey of ADIDI?

The InChIKey of ADIDI is MDFFDZMXEZGZPB-UHFFFAOYSA-N.

Can you provide the Canonical SMILES of ADIDI?

The Canonical SMILES of ADIDI is C1=CC2=C3C(=C1)N=C4C5=C6C(=CC=C7C6=C(C=C5)C8=CC=C9C1=C(C=CC7=C81)C1=NC5=CC=CC6=C5C(=CC=C6)N1C9=O)C(=O)N4C3=CC=C2.

What is the XLogP3-AA value of ADIDI?

The XLogP3-AA value of ADIDI is 8.7.

How many hydrogen bond acceptors does ADIDI have?

ADIDI has 4 hydrogen bond acceptors.

What is the topological polar surface area of ADIDI?

The topological polar surface area of ADIDI is 65.3 Å².