6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate

C67H32F10N8O4RuS2 — CID 140711379

About 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate

6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate (PubChem CID 140711379) has the molecular formula C67H32F10N8O4RuS2 and a molecular weight of 1368.23 g/mol. Its IUPAC name is 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate.

Molecular Properties

• Compound Name: 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
• PubChem CID: 140711379
• Molecular Formula: C67H32F10N8O4RuS2
• Molecular Weight: 1368.23 g/mol
• Exact Mass: 1368.09
• IUPAC Name: 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
• SMILES: Fc1c(F)c(F)c(-c2ccc3c(c2)c2cc(-c4cc5c6cc(-c7c(F)c(F)c(F)c(F)c7F)ccc6n(-c6ccc(-c7ccccc7)o6)c5cn4)ncc2n3-c2ccc(-c3ccccc3)o2)c(F)c1F.O=C(O)c1ccnc(-c2ccccn2)c1.[N-]=C=S.[N-]=C=S.[Ru+2]
• InChI: InChI=1S/C54H24F10N4O2.C11H8N2O2.2CNS.Ru/c55-45-43(46(56)50(60)53(63)49(45)59)27-11-13-35-29(19-27)31-21-33(65-23-37(31)67(35)41-17-15-39(69-41)25-7-3-1-4-8-25)34-22-32-30-20-28(44-47(57)51(61)54(64)52(62)48(44)58)12-14-36(30)68(38(32)24-66-34)42-18-16-40(70-42)26-9-5-2-6-10-26;14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;2*2-1-3;/h1-24H;1-7H,(H,14,15);;;/q;;2*-1;+2
• InChIKey: RQXUOROUDCUBBG-UHFFFAOYSA-N
• XLogP: 18.74
• TPSA: 169.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1368.23
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate?

The IUPAC name of 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate (CID 140711379) is 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate.

What is the SMILES notation for 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate?

The canonical SMILES for 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate is Fc1c(F)c(F)c(-c2ccc3c(c2)c2cc(-c4cc5c6cc(-c7c(F)c(F)c(F)c(F)c7F)ccc6n(-c6ccc(-c7ccccc7)o6)c5cn4)ncc2n3-c2ccc(-c3ccccc3)o2)c(F)c1F.O=C(O)c1ccnc(-c2ccccn2)c1.[N-]=C=S.[N-]=C=S.[Ru+2].

What is the InChIKey of 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate?

The InChIKey is RQXUOROUDCUBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H24F10N4O2.C11H8N2O2.2CNS.Ru/c55-45-43(46(56)50(60)53(63)49(45)59)27-11-13-35-29(19-27)31-21-33(65-23-37(31)67(35)41-17-15-39(69-41)25-7-3-1-4-8-25)34-22-32-30-20-28(44-47(57)51(61)54(64)52(62)48(44)58)12-14-36(30)68(38(32)24-66-34)42-18-16-40(70-42)26-9-5-2-6-10-26;14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;2*2-1-3;/h1-24H;1-7H,(H,14,15);;;/q;;2*-1;+2.

What are the key properties of 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate?

6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate has a molecular weight of 1368.23 g/mol, XLogP of 18.74, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate is sourced from PubChem (CID 140711379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).