tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+))

C72H60N14Ru2+4 — CID 45254856

About tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+))

tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+)) (PubChem CID 45254856) has the molecular formula C72H60N14Ru2+4 and a molecular weight of 1323.51 g/mol. Its IUPAC name is tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+)).

Molecular Properties

• Compound Name: tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+))
• PubChem CID: 45254856
• Molecular Formula: C72H60N14Ru2+4
• Molecular Weight: 1323.51 g/mol
• Exact Mass: 1324.32
• IUPAC Name: tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+))
• SMILES: CCc1cccnc1-c1ccccn1.CCc1cccnc1-c1ccccn1.CCc1cccnc1-c1ccccn1.CCc1cccnc1-c1ccccn1.[Ru+2].[Ru+2].c1cnc2c(c1)c1nc3c4cccnc4c4ncccc4c3nc1c1cccnc12
• InChI: InChI=1S/C24H12N6.4C12H12N2.2Ru/c1-5-13-17(25-9-1)18-14(6-2-10-26-18)22-21(13)29-23-15-7-3-11-27-19(15)20-16(24(23)30-22)8-4-12-28-20;4*1-2-10-6-5-9-14-12(10)11-7-3-4-8-13-11;;/h1-12H;4*3-9H,2H2,1H3;;/q;;;;;2*+2
• InChIKey: OLGPSHWPXIZXGP-UHFFFAOYSA-N
• XLogP: 15.79
• TPSA: 180.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1323.51
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+))?

The IUPAC name of tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+)) (CID 45254856) is tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+)).

What is the SMILES notation for tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+))?

The canonical SMILES for tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+)) is CCc1cccnc1-c1ccccn1.CCc1cccnc1-c1ccccn1.CCc1cccnc1-c1ccccn1.CCc1cccnc1-c1ccccn1.[Ru+2].[Ru+2].c1cnc2c(c1)c1nc3c4cccnc4c4ncccc4c3nc1c1cccnc12.

What is the InChIKey of tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+))?

The InChIKey is OLGPSHWPXIZXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12N6.4C12H12N2.2Ru/c1-5-13-17(25-9-1)18-14(6-2-10-26-18)22-21(13)29-23-15-7-3-11-27-19(15)20-16(24(23)30-22)8-4-12-28-20;4*1-2-10-6-5-9-14-12(10)11-7-3-4-8-13-11;;/h1-12H;4*3-9H,2H2,1H3;;/q;;;;;2*+2.

What are the key properties of tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+))?

tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+)) has a molecular weight of 1323.51 g/mol, XLogP of 15.79, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+)) is sourced from PubChem (CID 45254856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).