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(4,5,6,7-tetrapropyl-1,10-phenanthroline)

C120H140N14Ru2+4 — CID 45255281

About 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(4,5,6,7-tetrapropyl-1,10-phenanthroline)

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(4,5,6,7-tetrapropyl-1,10-phenanthroline) (PubChem CID 45255281) has the molecular formula C120H140N14Ru2+4 and a molecular weight of 1980.68 g/mol. Its IUPAC name is 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(4,5,6,7-tetrapropyl-1,10-phenanthroline).

Molecular Properties

• Compound Name: 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(4,5,6,7-tetrapropyl-1,10-phenanthroline)
• PubChem CID: 45255281
• Molecular Formula: C120H140N14Ru2+4
• Molecular Weight: 1980.68 g/mol
• Exact Mass: 1980.95
• IUPAC Name: 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(4,5,6,7-tetrapropyl-1,10-phenanthroline)
• SMILES: CCCc1ccnc2c1c(CCC)c(CCC)c1c(CCC)ccnc12.CCCc1ccnc2c1c(CCC)c(CCC)c1c(CCC)ccnc12.CCCc1ccnc2c1c(CCC)c(CCC)c1c(CCC)ccnc12.CCCc1ccnc2c1c(CCC)c(CCC)c1c(CCC)ccnc12.[Ru+2].[Ru+2].c1cnc2c(c1)c1nc3c4cccnc4c4ncccc4c3nc1c1cccnc12
• InChI: InChI=1S/C24H12N6.4C24H32N2.2Ru/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*1-5-9-17-13-15-25-23-21(17)19(11-7-3)20(12-8-4)22-18(10-6-2)14-16-26-24(22)23;;/h1-12H;4*13-16H,5-12H2,1-4H3;;/q;;;;;2*+2
• InChIKey: PTJCJUOHRXRZCA-UHFFFAOYSA-N
• XLogP: 31.34
• TPSA: 180.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 32
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1980.68
LogP ≤ 5	31.34
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 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(4,5,6,7-tetrapropyl-1,10-phenanthroline)?

The IUPAC name of 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(4,5,6,7-tetrapropyl-1,10-phenanthroline) (CID 45255281) is 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(4,5,6,7-tetrapropyl-1,10-phenanthroline).

What is the SMILES notation for 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(4,5,6,7-tetrapropyl-1,10-phenanthroline)?

The canonical SMILES for 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(4,5,6,7-tetrapropyl-1,10-phenanthroline) is CCCc1ccnc2c1c(CCC)c(CCC)c1c(CCC)ccnc12.CCCc1ccnc2c1c(CCC)c(CCC)c1c(CCC)ccnc12.CCCc1ccnc2c1c(CCC)c(CCC)c1c(CCC)ccnc12.CCCc1ccnc2c1c(CCC)c(CCC)c1c(CCC)ccnc12.[Ru+2].[Ru+2].c1cnc2c(c1)c1nc3c4cccnc4c4ncccc4c3nc1c1cccnc12.

What is the InChIKey of 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(4,5,6,7-tetrapropyl-1,10-phenanthroline)?

The InChIKey is PTJCJUOHRXRZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12N6.4C24H32N2.2Ru/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*1-5-9-17-13-15-25-23-21(17)19(11-7-3)20(12-8-4)22-18(10-6-2)14-16-26-24(22)23;;/h1-12H;4*13-16H,5-12H2,1-4H3;;/q;;;;;2*+2.

What are the key properties of 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(4,5,6,7-tetrapropyl-1,10-phenanthroline)?

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(4,5,6,7-tetrapropyl-1,10-phenanthroline) has a molecular weight of 1980.68 g/mol, XLogP of 31.34, 32 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 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(4,5,6,7-tetrapropyl-1,10-phenanthroline) is sourced from PubChem (CID 45255281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).