2,5-bis(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;2,5-dimethylpyrrol-1-ide;bis(iridium(3+));2-methyl-5-(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;bis(pyridine)

C40H40Ir2N8 — CID 59806859

About 2,5-bis(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;2,5-dimethylpyrrol-1-ide;bis(iridium(3+));2-methyl-5-(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;bis(pyridine)

2,5-bis(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;2,5-dimethylpyrrol-1-ide;bis(iridium(3+));2-methyl-5-(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;bis(pyridine) (PubChem CID 59806859) has the molecular formula C40H40Ir2N8 and a molecular weight of 1017.25 g/mol. Its IUPAC name is 2,5-bis(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;2,5-dimethylpyrrol-1-ide;bis(iridium(3+));2-methyl-5-(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;bis(pyridine).

Molecular Properties

• Compound Name: 2,5-bis(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;2,5-dimethylpyrrol-1-ide;bis(iridium(3+));2-methyl-5-(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;bis(pyridine)
• PubChem CID: 59806859
• Molecular Formula: C40H40Ir2N8
• Molecular Weight: 1017.25 g/mol
• Exact Mass: 1018.26
• IUPAC Name: 2,5-bis(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;2,5-dimethylpyrrol-1-ide;bis(iridium(3+));2-methyl-5-(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;bis(pyridine)
• SMILES: Cc1ccc(-c2ccc(-c3ccc(C)[n-]3)[n-]2)[n-]1.Cc1ccc(-c2ccc(C)[n-]2)[n-]1.Cc1ccc(C)[n-]1.[Ir+3].[Ir+3].c1ccncc1.c1ccncc1
• InChI: InChI=1S/C14H12N3.C10H10N2.C6H8N.2C5H5N.2Ir/c1-9-3-5-11(15-9)13-7-8-14(17-13)12-6-4-10(2)16-12;1-7-3-5-9(11-7)10-6-4-8(2)12-10;1-5-3-4-6(2)7-5;2*1-2-4-6-5-3-1;;/h3-8H,1-2H3;3-6H,1-2H3;3-4H,1-2H3;2*1-5H;;/q-3;-2;-1;;;2*+3
• InChIKey: QHKWEYPLQDREON-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 110.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1017.25
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;2,5-dimethylpyrrol-1-ide;bis(iridium(3+));2-methyl-5-(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;bis(pyridine)?

The IUPAC name of 2,5-bis(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;2,5-dimethylpyrrol-1-ide;bis(iridium(3+));2-methyl-5-(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;bis(pyridine) (CID 59806859) is 2,5-bis(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;2,5-dimethylpyrrol-1-ide;bis(iridium(3+));2-methyl-5-(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;bis(pyridine).

What is the SMILES notation for 2,5-bis(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;2,5-dimethylpyrrol-1-ide;bis(iridium(3+));2-methyl-5-(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;bis(pyridine)?

The canonical SMILES for 2,5-bis(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;2,5-dimethylpyrrol-1-ide;bis(iridium(3+));2-methyl-5-(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;bis(pyridine) is Cc1ccc(-c2ccc(-c3ccc(C)[n-]3)[n-]2)[n-]1.Cc1ccc(-c2ccc(C)[n-]2)[n-]1.Cc1ccc(C)[n-]1.[Ir+3].[Ir+3].c1ccncc1.c1ccncc1.

What is the InChIKey of 2,5-bis(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;2,5-dimethylpyrrol-1-ide;bis(iridium(3+));2-methyl-5-(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;bis(pyridine)?

The InChIKey is QHKWEYPLQDREON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N3.C10H10N2.C6H8N.2C5H5N.2Ir/c1-9-3-5-11(15-9)13-7-8-14(17-13)12-6-4-10(2)16-12;1-7-3-5-9(11-7)10-6-4-8(2)12-10;1-5-3-4-6(2)7-5;2*1-2-4-6-5-3-1;;/h3-8H,1-2H3;3-6H,1-2H3;3-4H,1-2H3;2*1-5H;;/q-3;-2;-1;;;2*+3.

What are the key properties of 2,5-bis(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;2,5-dimethylpyrrol-1-ide;bis(iridium(3+));2-methyl-5-(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;bis(pyridine)?

2,5-bis(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;2,5-dimethylpyrrol-1-ide;bis(iridium(3+));2-methyl-5-(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;bis(pyridine) has a molecular weight of 1017.25 g/mol, XLogP of 7.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-bis(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;2,5-dimethylpyrrol-1-ide;bis(iridium(3+));2-methyl-5-(5-methylpyrrol-1-id-2-yl)pyrrol-1-ide;bis(pyridine) is sourced from PubChem (CID 59806859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).