tetrakis(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);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+))

C112H140N14Ru2+4 — CID 45256251

About tetrakis(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);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(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);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 45256251) has the molecular formula C112H140N14Ru2+4 and a molecular weight of 1884.59 g/mol. Its IUPAC name is tetrakis(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);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(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);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: 45256251
• Molecular Formula: C112H140N14Ru2+4
• Molecular Weight: 1884.59 g/mol
• Exact Mass: 1884.95
• IUPAC Name: tetrakis(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);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: CCCc1ccc(-c2ccc(CCC)c(CCC)n2)nc1CCC.CCCc1ccc(-c2ccc(CCC)c(CCC)n2)nc1CCC.CCCc1ccc(-c2ccc(CCC)c(CCC)n2)nc1CCC.CCCc1ccc(-c2ccc(CCC)c(CCC)n2)nc1CCC.[Ru+2].[Ru+2].c1cnc2c(c1)c1nc3c4cccnc4c4ncccc4c3nc1c1cccnc12
• InChI: InChI=1S/C24H12N6.4C22H32N2.2Ru/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*1-5-9-17-13-15-21(23-19(17)11-7-3)22-16-14-18(10-6-2)20(24-22)12-8-4;;/h1-12H;4*13-16H,5-12H2,1-4H3;;/q;;;;;2*+2
• InChIKey: QXIQKINRWKOXMX-UHFFFAOYSA-N
• XLogP: 28.79
• TPSA: 180.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 36
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1884.59
LogP ≤ 5	28.79
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(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);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(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);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 45256251) is tetrakis(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);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(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);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(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);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 CCCc1ccc(-c2ccc(CCC)c(CCC)n2)nc1CCC.CCCc1ccc(-c2ccc(CCC)c(CCC)n2)nc1CCC.CCCc1ccc(-c2ccc(CCC)c(CCC)n2)nc1CCC.CCCc1ccc(-c2ccc(CCC)c(CCC)n2)nc1CCC.[Ru+2].[Ru+2].c1cnc2c(c1)c1nc3c4cccnc4c4ncccc4c3nc1c1cccnc12.

What is the InChIKey of tetrakis(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);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 QXIQKINRWKOXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12N6.4C22H32N2.2Ru/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*1-5-9-17-13-15-21(23-19(17)11-7-3)22-16-14-18(10-6-2)20(24-22)12-8-4;;/h1-12H;4*13-16H,5-12H2,1-4H3;;/q;;;;;2*+2.

What are the key properties of tetrakis(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);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(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);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 1884.59 g/mol, XLogP of 28.79, 36 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);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 45256251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).