2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium

C70H48N16Ru2S — CID 140623773

IUPAC2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium
SMILES[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1nc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)s3)[nH]c1c1cccnc12
InChIInChI=1S/C30H16N8S.4C10H8N2.2Ru/c1-5-15-21(31-11-1)22-16(6-2-12-32-22)26-25(15)35-29(36-26)19-9-10-20(39-19)30-37-27-17-7-3-13-33-23(17)24-18(28(27)38-30)8-4-14-34-24;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-14H,(H,35,36)(H,37,38);4*1-8H;;
InChIKeySHQIWOOYHMHAJR-UHFFFAOYSA-N
MW1347.47 g/mol
LogP15.60
Rot. Bonds6

About 2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium

2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 140623773) has the molecular formula C70H48N16Ru2S and a molecular weight of 1347.47 g/mol. Its IUPAC name is 2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound Name2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID140623773
Molecular FormulaC70H48N16Ru2S
Molecular Weight1347.47 g/mol
Exact Mass1348.21
IUPAC Name2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium
SMILES[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1nc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)s3)[nH]c1c1cccnc12
InChIInChI=1S/C30H16N8S.4C10H8N2.2Ru/c1-5-15-21(31-11-1)22-16(6-2-12-32-22)26-25(15)35-29(36-26)19-9-10-20(39-19)30-37-27-17-7-3-13-33-23(17)24-18(28(27)38-30)8-4-14-34-24;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-14H,(H,35,36)(H,37,38);4*1-8H;;
InChIKeySHQIWOOYHMHAJR-UHFFFAOYSA-N
XLogP15.60
TPSA212.04 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001347.47
LogP ≤ 515.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium with MolForge

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Related Compounds

Tld-1433
CID 145722627
iron(2+);bis(2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline);diisothiocyanate
CID 139166165
1,4-Bis(imidazo[4,5-f]-1,10-phenanthrolin-2-yl)benzene
CID 15492639
2-(Thiophen-2-yl)-1h-imidazo[4,5-f][1,10]-phenanthroline
CID 46206870
1,3-Bis(imidazo[4,5-f]-1,10-phenanthrolin-2-yl)benzene
CID 85780173
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
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 145664888
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
2-Phenyl-1h-1,3,7,8-tetraazacyclopenta[l]phenanthrene
CID 139075310

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of 2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium (CID 140623773) is 2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for 2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for 2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium is [Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1nc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)s3)[nH]c1c1cccnc12.
What is the InChIKey of 2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is SHQIWOOYHMHAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N8S.4C10H8N2.2Ru/c1-5-15-21(31-11-1)22-16(6-2-12-32-22)26-25(15)35-29(36-26)19-9-10-20(39-19)30-37-27-17-7-3-13-33-23(17)24-18(28(27)38-30)8-4-14-34-24;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-14H,(H,35,36)(H,37,38);4*1-8H;;.
What are the key properties of 2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium?
2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 1347.47 g/mol, XLogP of 15.60, 6 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 140623773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).