N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate

C49H30N10O2RuS5 — CID 140711350

About N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate

N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate (PubChem CID 140711350) has the molecular formula C49H30N10O2RuS5 and a molecular weight of 1052.25 g/mol. Its IUPAC name is N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate.

Molecular Properties

• Compound Name: N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
• PubChem CID: 140711350
• Molecular Formula: C49H30N10O2RuS5
• Molecular Weight: 1052.25 g/mol
• Exact Mass: 1052.02
• IUPAC Name: N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
• SMILES: O=C(O)c1ccnc(-c2ccccn2)c1.[N-]=C=S.[N-]=C=S.[Ru+2].c1ccc(N(c2ccnc(-c3cc4c5ccccc5n(-c5cc6scc(-c7cccs7)c6s5)c4cn3)c2)c2ccccn2)nc1
• InChI: InChI=1S/C36H22N6S3.C11H8N2O2.2CNS.Ru/c1-2-9-29-24(8-1)25-19-28(27-18-23(13-16-37-27)41(33-11-3-5-14-38-33)34-12-4-6-15-39-34)40-21-30(25)42(29)35-20-32-36(45-35)26(22-44-32)31-10-7-17-43-31;14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;2*2-1-3;/h1-22H;1-7H,(H,14,15);;;/q;;2*-1;+2
• InChIKey: RSUCZFGFSGJFSL-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 167.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1052.25
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

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 N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate?

The IUPAC name of N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate (CID 140711350) is N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate.

What is the SMILES notation for N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate?

The canonical SMILES for N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate is O=C(O)c1ccnc(-c2ccccn2)c1.[N-]=C=S.[N-]=C=S.[Ru+2].c1ccc(N(c2ccnc(-c3cc4c5ccccc5n(-c5cc6scc(-c7cccs7)c6s5)c4cn3)c2)c2ccccn2)nc1.

What is the InChIKey of N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate?

The InChIKey is RSUCZFGFSGJFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N6S3.C11H8N2O2.2CNS.Ru/c1-2-9-29-24(8-1)25-19-28(27-18-23(13-16-37-27)41(33-11-3-5-14-38-33)34-12-4-6-15-39-34)40-21-30(25)42(29)35-20-32-36(45-35)26(22-44-32)31-10-7-17-43-31;14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;2*2-1-3;/h1-22H;1-7H,(H,14,15);;;/q;;2*-1;+2.

What are the key properties of N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate?

N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate has a molecular weight of 1052.25 g/mol, XLogP of 13.66, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dipyridin-2-yl-2-[9-(3-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)pyrido[3,4-b]indol-3-yl]pyridin-4-amine;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate is sourced from PubChem (CID 140711350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).