2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene

C46H32N8Ru+2 — CID 138986845

IUPAC2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
SMILES[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1cnc2nc3c(cc2c1)CCc1cc2cccnc2nc1-3
InChIInChI=1S/C18H12N4.C18H12N2.C10H8N2.Ru/c1-3-13-9-11-5-6-12-10-14-4-2-8-20-18(14)22-16(12)15(11)21-17(13)19-7-1;1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-4,7-10H,5-6H2;1-12H;1-8H;/q;;;+2
InChIKeyRLZYHQKULHLDTO-UHFFFAOYSA-N
MW797.89 g/mol
LogP9.93
Rot. Bonds2

About 2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene

2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene (PubChem CID 138986845) has the molecular formula C46H32N8Ru+2 and a molecular weight of 797.89 g/mol. Its IUPAC name is 2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene.

Molecular Properties

Compound Name2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
PubChem CID138986845
Molecular FormulaC46H32N8Ru+2
Molecular Weight797.89 g/mol
Exact Mass798.18
IUPAC Name2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
SMILES[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1cnc2nc3c(cc2c1)CCc1cc2cccnc2nc1-3
InChIInChI=1S/C18H12N4.C18H12N2.C10H8N2.Ru/c1-3-13-9-11-5-6-12-10-14-4-2-8-20-18(14)22-16(12)15(11)21-17(13)19-7-1;1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-4,7-10H,5-6H2;1-12H;1-8H;/q;;;+2
InChIKeyRLZYHQKULHLDTO-UHFFFAOYSA-N
XLogP9.93
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.89
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene with MolForge

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Related Compounds

iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
CID 138986830
2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline
CID 59273786
2-[6-(2-quinolin-2-ylquinolin-4-yl)-2-pyridinyl]-1,8-naphthyridine
CID 146398040
8-phenylquinoline;2-pyridin-2-ylquinoline
CID 143968866
2,3-dipyridin-2-ylquinoxaline;platinum(2+);bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 50910408
3,8-dipyridin-2-yl-4,7-phenanthroline
CID 91243626
2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122427220
platinum(2+);6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;chloride
CID 71543302
carbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 10876649
5-pyridin-2-yl-2-quinolin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 102047638
2-pyridin-2-yl-6-pyrrolidin-1-ylquinoline
CID 11854252

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene?
The IUPAC name of 2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene (CID 138986845) is 2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene.
What is the SMILES notation for 2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene?
The canonical SMILES for 2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene is [Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1cnc2nc3c(cc2c1)CCc1cc2cccnc2nc1-3.
What is the InChIKey of 2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene?
The InChIKey is RLZYHQKULHLDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4.C18H12N2.C10H8N2.Ru/c1-3-13-9-11-5-6-12-10-14-4-2-8-20-18(14)22-16(12)15(11)21-17(13)19-7-1;1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-4,7-10H,5-6H2;1-12H;1-8H;/q;;;+2.
What are the key properties of 2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene?
2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene has a molecular weight of 797.89 g/mol, XLogP of 9.93, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene is sourced from PubChem (CID 138986845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).