bis(4,7-diphenyl-1,10-phenanthroline);4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid;ruthenium

C68H44N8O2Ru — CID 143820917

About bis(4,7-diphenyl-1,10-phenanthroline);4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid;ruthenium

bis(4,7-diphenyl-1,10-phenanthroline);4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid;ruthenium (PubChem CID 143820917) has the molecular formula C68H44N8O2Ru and a molecular weight of 1106.22 g/mol. Its IUPAC name is bis(4,7-diphenyl-1,10-phenanthroline);4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid;ruthenium.

Molecular Properties

• Compound Name: bis(4,7-diphenyl-1,10-phenanthroline);4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid;ruthenium
• PubChem CID: 143820917
• Molecular Formula: C68H44N8O2Ru
• Molecular Weight: 1106.22 g/mol
• Exact Mass: 1106.26
• IUPAC Name: bis(4,7-diphenyl-1,10-phenanthroline);4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid;ruthenium
• SMILES: O=C(O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
• InChI: InChI=1S/2C24H16N2.C20H12N4O2.Ru/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;25-20(26)12-7-5-11(6-8-12)19-23-17-13-3-1-9-21-15(13)16-14(18(17)24-19)4-2-10-22-16;/h2*1-16H;1-10H,(H,23,24)(H,25,26)
• InChIKey: YRIPVGCNAYPRLH-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 143.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1106.22
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4,7-diphenyl-1,10-phenanthroline);4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid;ruthenium?

The IUPAC name of bis(4,7-diphenyl-1,10-phenanthroline);4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid;ruthenium (CID 143820917) is bis(4,7-diphenyl-1,10-phenanthroline);4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid;ruthenium.

What is the SMILES notation for bis(4,7-diphenyl-1,10-phenanthroline);4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid;ruthenium?

The canonical SMILES for bis(4,7-diphenyl-1,10-phenanthroline);4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid;ruthenium is O=C(O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.

What is the InChIKey of bis(4,7-diphenyl-1,10-phenanthroline);4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid;ruthenium?

The InChIKey is YRIPVGCNAYPRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16N2.C20H12N4O2.Ru/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;25-20(26)12-7-5-11(6-8-12)19-23-17-13-3-1-9-21-15(13)16-14(18(17)24-19)4-2-10-22-16;/h2*1-16H;1-10H,(H,23,24)(H,25,26);.

What are the key properties of bis(4,7-diphenyl-1,10-phenanthroline);4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid;ruthenium?

bis(4,7-diphenyl-1,10-phenanthroline);4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid;ruthenium has a molecular weight of 1106.22 g/mol, XLogP of 16.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4,7-diphenyl-1,10-phenanthroline);4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid;ruthenium is sourced from PubChem (CID 143820917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).