2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate

C70H54N8O4RuS2 — CID 145155865

About 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate (PubChem CID 145155865) has the molecular formula C70H54N8O4RuS2 and a molecular weight of 1236.46 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate.

Molecular Properties

• Compound Name: 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate
• PubChem CID: 145155865
• Molecular Formula: C70H54N8O4RuS2
• Molecular Weight: 1236.46 g/mol
• Exact Mass: 1236.28
• IUPAC Name: 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate
• SMILES: CC1(C)c2ccccc2N(c2ccc(/C=C/c3ccnc(-c4cc(/C=C/c5ccc(N6c7ccccc7C(C)(C)c7ccccc76)cc5)ccn4)c3)cc2)c2ccccc21.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[N-]=C=S.[N-]=C=S.[Ru+2]
• InChI: InChI=1S/C56H46N4.C12H8N2O4.2CNS.Ru/c1-55(2)45-13-5-9-17-51(45)59(52-18-10-6-14-46(52)55)43-29-25-39(26-30-43)21-23-41-33-35-57-49(37-41)50-38-42(34-36-58-50)24-22-40-27-31-44(32-28-40)60-53-19-11-7-15-47(53)56(3,4)48-16-8-12-20-54(48)60;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*2-1-3;/h5-38H,1-4H3;1-6H,(H,15,16)(H,17,18);;;/q;;2*-1;+2/b23-21+,24-22+
• InChIKey: IDGAVVKXYAZTSA-CXZOOTTRSA-N
• XLogP: 17.56
• TPSA: 177.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1236.46
LogP ≤ 5	17.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate?

The IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate (CID 145155865) is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate.

What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate?

The canonical SMILES for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate is CC1(C)c2ccccc2N(c2ccc(/C=C/c3ccnc(-c4cc(/C=C/c5ccc(N6c7ccccc7C(C)(C)c7ccccc76)cc5)ccn4)c3)cc2)c2ccccc21.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[N-]=C=S.[N-]=C=S.[Ru+2].

What is the InChIKey of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate?

The InChIKey is IDGAVVKXYAZTSA-CXZOOTTRSA-N. The full InChI is InChI=1S/C56H46N4.C12H8N2O4.2CNS.Ru/c1-55(2)45-13-5-9-17-51(45)59(52-18-10-6-14-46(52)55)43-29-25-39(26-30-43)21-23-41-33-35-57-49(37-41)50-38-42(34-36-58-50)24-22-40-27-31-44(32-28-40)60-53-19-11-7-15-47(53)56(3,4)48-16-8-12-20-54(48)60;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*2-1-3;/h5-38H,1-4H3;1-6H,(H,15,16)(H,17,18);;;/q;;2*-1;+2/b23-21+,24-22+;;;;.

What are the key properties of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate?

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate has a molecular weight of 1236.46 g/mol, XLogP of 17.56, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate is sourced from PubChem (CID 145155865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).