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

C43H28N8ORu — CID 140752952

IUPAC4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;bis(1,10-phenanthroline);ruthenium
SMILESOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C19H12N4O.2C12H8N2.Ru/c24-12-7-5-11(6-8-12)19-22-17-13-3-1-9-20-15(13)16-14(18(17)23-19)4-2-10-21-16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-10,24H,(H,22,23);2*1-8H;
InChIKeyCIXQWNZPZQSCJK-UHFFFAOYSA-N
MW773.82 g/mol
LogP9.60
Rot. Bonds1

About 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;bis(1,10-phenanthroline);ruthenium

4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;bis(1,10-phenanthroline);ruthenium (PubChem CID 140752952) has the molecular formula C43H28N8ORu and a molecular weight of 773.82 g/mol. Its IUPAC name is 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;bis(1,10-phenanthroline);ruthenium.

Molecular Properties

Compound Name4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;bis(1,10-phenanthroline);ruthenium
PubChem CID140752952
Molecular FormulaC43H28N8ORu
Molecular Weight773.82 g/mol
Exact Mass774.14
IUPAC Name4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;bis(1,10-phenanthroline);ruthenium
SMILESOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C19H12N4O.2C12H8N2.Ru/c24-12-7-5-11(6-8-12)19-22-17-13-3-1-9-20-15(13)16-14(18(17)23-19)4-2-10-21-16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-10,24H,(H,22,23);2*1-8H;
InChIKeyCIXQWNZPZQSCJK-UHFFFAOYSA-N
XLogP9.60
TPSA126.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.82
LogP ≤ 59.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;bis(1,10-phenanthroline);ruthenium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-[6-(4-pyridin-4-ylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
CID 136504258
4-[6-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
CID 136504259
2-(2-Hydroxyphenyl)imidazo(4,5-f)(1,10)phenanthroline
CID 135934901
4-(1-Phenyl-1h-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol
CID 136703238
3-fluoro-5-[2-[6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]-1H-benzimidazol-4-yl]phenol
CID 145249623
4-[2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol
CID 117082496
CID 16159605
CID 16159605
(e)-N-(4-((4-(1h-imidazo[4,5-f][1,10]phenanthroline-2-yl)phenoxy)methyl)benzylidene)-1,10-phenanthroline-5amine
CID 129867661
2-(4-(4-((4-(1h-Imidazo[4,5-f][1,10]phenanthroline-2-yl)phenoxy) methyl)benzyloxy)phenyl)-1h-imidazo[4,5-f][1,10]phenanthroline
CID 129867703
2-(4-(4,6-Bis(4-(1h-imidazo[4,5-f][1,10]phenanthroline-2-yl)phenoxy)-1,3,5-triazine-2-yloxy)phenyl)-1h-imidazo[4,5-f][1,10]phenanthroline
CID 129867710
2-(4-(2-((4-(1h-Imidazo[4,5-f][1,10]phenanthroline-2-yl)phenoxy)methyl)benzyloxy)phenyl)-1h-imidazo[4,5-f][1,10]phenanthroline
CID 129867737
1-(1H-Imidazo[4,5-f][1,10]phenanthrolin-2-yl)naphthalen-2-ol
CID 136912148

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;bis(1,10-phenanthroline);ruthenium?
The IUPAC name of 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;bis(1,10-phenanthroline);ruthenium (CID 140752952) is 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;bis(1,10-phenanthroline);ruthenium.
What is the SMILES notation for 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;bis(1,10-phenanthroline);ruthenium?
The canonical SMILES for 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;bis(1,10-phenanthroline);ruthenium is Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;bis(1,10-phenanthroline);ruthenium?
The InChIKey is CIXQWNZPZQSCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O.2C12H8N2.Ru/c24-12-7-5-11(6-8-12)19-22-17-13-3-1-9-20-15(13)16-14(18(17)23-19)4-2-10-21-16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-10,24H,(H,22,23);2*1-8H;.
What are the key properties of 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;bis(1,10-phenanthroline);ruthenium?
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;bis(1,10-phenanthroline);ruthenium has a molecular weight of 773.82 g/mol, XLogP of 9.60, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;bis(1,10-phenanthroline);ruthenium is sourced from PubChem (CID 140752952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).