bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium;2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline

C49H38N8RuS3 — CID 140772536

IUPACbis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium;2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Ru].c1csc(-c2ccc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)s3)s2)c1
InChIInChI=1S/C25H14N4S3.2C12H12N2.Ru/c1-4-14-21(26-11-1)22-15(5-2-12-27-22)24-23(14)28-25(29-24)20-10-9-19(32-20)18-8-7-17(31-18)16-6-3-13-30-16;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h1-13H,(H,28,29);2*3-8H,1-2H3;
InChIKeyFPJMBUSDBXLJPX-UHFFFAOYSA-N
MW936.17 g/mol
LogP13.36
Rot. Bonds5

About bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium;2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline

bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium;2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 140772536) has the molecular formula C49H38N8RuS3 and a molecular weight of 936.17 g/mol. Its IUPAC name is bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium;2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Namebis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium;2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID140772536
Molecular FormulaC49H38N8RuS3
Molecular Weight936.17 g/mol
Exact Mass936.14
IUPAC Namebis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium;2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Ru].c1csc(-c2ccc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)s3)s2)c1
InChIInChI=1S/C25H14N4S3.2C12H12N2.Ru/c1-4-14-21(26-11-1)22-15(5-2-12-27-22)24-23(14)28-25(29-24)20-10-9-19(32-20)18-8-7-17(31-18)16-6-3-13-30-16;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h1-13H,(H,28,29);2*3-8H,1-2H3;
InChIKeyFPJMBUSDBXLJPX-UHFFFAOYSA-N
XLogP13.36
TPSA106.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.17
LogP ≤ 513.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine
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Tld-1433
CID 145722627
iron(2+);bis(2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline);diisothiocyanate
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1,4-Bis(imidazo[4,5-f]-1,10-phenanthrolin-2-yl)benzene
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2-(Thiophen-2-yl)-1h-imidazo[4,5-f][1,10]-phenanthroline
CID 46206870
bis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
CID 59456371
3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-[[3-[7-(5-fluorothiophen-2-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137024832
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-quinolin-6-yl-9-thiophen-3-ylpurine-2,6-diamine
CID 117090401
CID 16159605
CID 16159605
Bis(acetato-kappaO)bis{2-[4-(pyridin-2-yl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline-kappa^2^N,N'}cadmium(II)
CID 139048044
iron(2+);bis(2-pyridin-3-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diisothiocyanate
CID 139147949
iron(2+);bis(2-pyridin-4-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diisothiocyanate
CID 139147950

Frequently Asked Questions

What is the IUPAC name of bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium;2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium;2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline (CID 140772536) is bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium;2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium;2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium;2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Ru].c1csc(-c2ccc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)s3)s2)c1.
What is the InChIKey of bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium;2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is FPJMBUSDBXLJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N4S3.2C12H12N2.Ru/c1-4-14-21(26-11-1)22-15(5-2-12-27-22)24-23(14)28-25(29-24)20-10-9-19(32-20)18-8-7-17(31-18)16-6-3-13-30-16;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h1-13H,(H,28,29);2*3-8H,1-2H3;.
What are the key properties of bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium;2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline?
bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium;2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 936.17 g/mol, XLogP of 13.36, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium;2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 140772536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).