6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

C72H44N10O4Ru+2 — CID 140828595

About 6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (PubChem CID 140828595) has the molecular formula C72H44N10O4Ru+2 and a molecular weight of 1214.28 g/mol. Its IUPAC name is 6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2-pyridin-2-ylpyridine);ruthenium(2+).

Molecular Properties

• Compound Name: 6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
• PubChem CID: 140828595
• Molecular Formula: C72H44N10O4Ru+2
• Molecular Weight: 1214.28 g/mol
• Exact Mass: 1214.26
• IUPAC Name: 6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
• SMILES: O=c1c2cc3c(=O)n(-c4cc5cccnc5c5ncccc45)c(=O)c3cc2c(=O)n1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C52H28N6O4.2C10H8N2.Ru/c59-49-38-27-40-41(52(62)58(51(40)61)46-23-29-11-9-21-53-47(29)48-37(46)16-10-22-54-48)28-39(38)50(60)57(49)32-25-30(55-42-17-5-1-12-33(42)34-13-2-6-18-43(34)55)24-31(26-32)56-44-19-7-3-14-35(44)36-15-4-8-20-45(36)56;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-28H;2*1-8H;/q;;;+2
• InChIKey: MCLNEFSQJCPSEI-UHFFFAOYSA-N
• XLogP: 13.47
• TPSA: 165.34 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1214.28
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?

The IUPAC name of 6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (CID 140828595) is 6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2-pyridin-2-ylpyridine);ruthenium(2+).

What is the SMILES notation for 6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?

The canonical SMILES for 6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is O=c1c2cc3c(=O)n(-c4cc5cccnc5c5ncccc45)c(=O)c3cc2c(=O)n1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?

The InChIKey is MCLNEFSQJCPSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28N6O4.2C10H8N2.Ru/c59-49-38-27-40-41(52(62)58(51(40)61)46-23-29-11-9-21-53-47(29)48-37(46)16-10-22-54-48)28-39(38)50(60)57(49)32-25-30(55-42-17-5-1-12-33(42)34-13-2-6-18-43(34)55)24-31(26-32)56-44-19-7-3-14-35(44)36-15-4-8-20-45(36)56;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-28H;2*1-8H;/q;;;+2.

What are the key properties of 6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?

6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2-pyridin-2-ylpyridine);ruthenium(2+) has a molecular weight of 1214.28 g/mol, XLogP of 13.47, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is sourced from PubChem (CID 140828595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).