bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium

C253H178N42Ru6 — CID 157164655

IUPACbis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium
SMILESCCC.Cc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.Cc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.Cc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.Cc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.[Ru].[Ru].[Ru].[Ru].[Ru].[Ru].c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C51H33N9.4C37H26N6.C3H8.6Ru/c2*1-7-19-52-40(13-1)46-28-37(29-47(58-46)41-14-2-8-20-53-41)34-25-35(38-30-48(42-15-3-9-21-54-42)59-49(31-38)43-16-4-10-22-55-43)27-36(26-34)39-32-50(44-17-5-11-23-56-44)60-51(33-39)45-18-6-12-24-57-45;4*1-25-18-26(28-21-34(30-10-2-6-14-38-30)42-35(22-28)31-11-3-7-15-39-31)20-27(19-25)29-23-36(32-12-4-8-16-40-32)43-37(24-29)33-13-5-9-17-41-33;1-3-2;;;;;;/h2*1-33H;4*2-24H,1H3;3H2,1-2H3;;;;;;
InChIKeyAMTQALKPNRYMGP-UHFFFAOYSA-N
MW4412.92 g/mol
LogP57.36
Rot. Bonds42

About bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium

bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium (PubChem CID 157164655) has the molecular formula C253H178N42Ru6 and a molecular weight of 4412.92 g/mol. Its IUPAC name is bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium.

Molecular Properties

Compound Namebis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium
PubChem CID157164655
Molecular FormulaC253H178N42Ru6
Molecular Weight4412.92 g/mol
Exact Mass4414.95
IUPAC Namebis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium
SMILESCCC.Cc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.Cc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.Cc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.Cc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.[Ru].[Ru].[Ru].[Ru].[Ru].[Ru].c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C51H33N9.4C37H26N6.C3H8.6Ru/c2*1-7-19-52-40(13-1)46-28-37(29-47(58-46)41-14-2-8-20-53-41)34-25-35(38-30-48(42-15-3-9-21-54-42)59-49(31-38)43-16-4-10-22-55-43)27-36(26-34)39-32-50(44-17-5-11-23-56-44)60-51(33-39)45-18-6-12-24-57-45;4*1-25-18-26(28-21-34(30-10-2-6-14-38-30)42-35(22-28)31-11-3-7-15-39-31)20-27(19-25)29-23-36(32-12-4-8-16-40-32)43-37(24-29)33-13-5-9-17-41-33;1-3-2;;;;;;/h2*1-33H;4*2-24H,1H3;3H2,1-2H3;;;;;;
InChIKeyAMTQALKPNRYMGP-UHFFFAOYSA-N
XLogP57.36
TPSA541.38 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds42
Heavy Atoms301
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004412.92
LogP ≤ 557.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium with MolForge

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Related Compounds

4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 22359756
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
chloroplatinum(1+);4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;chloride
CID 165430889
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
propane;2-pyridin-2-ylpyridine
CID 158168510
4-[4-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122221010
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724
4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine
CID 102129587
4-(3,5-dipyridin-2-ylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
CID 23528039
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654

Frequently Asked Questions

What is the IUPAC name of bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium?
The IUPAC name of bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium (CID 157164655) is bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium.
What is the SMILES notation for bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium?
The canonical SMILES for bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium is CCC.Cc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.Cc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.Cc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.Cc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.[Ru].[Ru].[Ru].[Ru].[Ru].[Ru].c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium?
The InChIKey is AMTQALKPNRYMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H33N9.4C37H26N6.C3H8.6Ru/c2*1-7-19-52-40(13-1)46-28-37(29-47(58-46)41-14-2-8-20-53-41)34-25-35(38-30-48(42-15-3-9-21-54-42)59-49(31-38)43-16-4-10-22-55-43)27-36(26-34)39-32-50(44-17-5-11-23-56-44)60-51(33-39)45-18-6-12-24-57-45;4*1-25-18-26(28-21-34(30-10-2-6-14-38-30)42-35(22-28)31-11-3-7-15-39-31)20-27(19-25)29-23-36(32-12-4-8-16-40-32)43-37(24-29)33-13-5-9-17-41-33;1-3-2;;;;;;/h2*1-33H;4*2-24H,1H3;3H2,1-2H3;;;;;;.
What are the key properties of bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium?
bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium has a molecular weight of 4412.92 g/mol, XLogP of 57.36, 42 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium is sourced from PubChem (CID 157164655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).