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

C78H48N16Ru2S — CID 140623774

IUPAC2-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;tetrakis(1,10-phenanthroline);ruthenium
SMILES[Ru].[Ru].c1cnc2c(c1)c1nc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)s3)[nH]c1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C30H16N8S.4C12H8N2.2Ru/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*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-14H,(H,35,36)(H,37,38);4*1-8H;;
InChIKeyCZPIZTYGGCQRTQ-UHFFFAOYSA-N
MW1443.56 g/mol
LogP18.15
Rot. Bonds2

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(1,10-phenanthroline);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(1,10-phenanthroline);ruthenium (PubChem CID 140623774) has the molecular formula C78H48N16Ru2S and a molecular weight of 1443.56 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(1,10-phenanthroline);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(1,10-phenanthroline);ruthenium
PubChem CID140623774
Molecular FormulaC78H48N16Ru2S
Molecular Weight1443.56 g/mol
Exact Mass1444.21
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(1,10-phenanthroline);ruthenium
SMILES[Ru].[Ru].c1cnc2c(c1)c1nc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)s3)[nH]c1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C30H16N8S.4C12H8N2.2Ru/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*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-14H,(H,35,36)(H,37,38);4*1-8H;;
InChIKeyCZPIZTYGGCQRTQ-UHFFFAOYSA-N
XLogP18.15
TPSA212.04 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds2
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001443.56
LogP ≤ 518.15
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(1,10-phenanthroline);ruthenium with MolForge

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Related Compounds

Tld-1433
CID 145722627
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 1,10-phenanthroline; pyrazine; ruthenium(2+); ruthenium(3+); trihexafluorophosphate
CID 11980901
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
2,5-dimethyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(4-fluoro-2-methyl-1H-inden-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(7-phenyl-1,6-naphthyridin-5-yl)-6,7,8,9-tetrahydro-5H-carbazol-3-amine;7-phenyl-N-[2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-7-yl]-1,6-naphthyridin-5-amine
CID 164947162
CID 16159605
CID 16159605
2-(9-(1h-Imidazo[4,5-f][1,10]phenanthrolin-2-yl)anthracen-10-yl)-1h-imidazo[4,5-f][1,10]phenanthroline
CID 134692341
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

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(1,10-phenanthroline);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(1,10-phenanthroline);ruthenium (CID 140623774) 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(1,10-phenanthroline);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(1,10-phenanthroline);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(1,10-phenanthroline);ruthenium is [Ru].[Ru].c1cnc2c(c1)c1nc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)s3)[nH]c1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
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(1,10-phenanthroline);ruthenium?
The InChIKey is CZPIZTYGGCQRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N8S.4C12H8N2.2Ru/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*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/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(1,10-phenanthroline);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(1,10-phenanthroline);ruthenium has a molecular weight of 1443.56 g/mol, XLogP of 18.15, 2 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(1,10-phenanthroline);ruthenium is sourced from PubChem (CID 140623774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).