3-(3,9-dihydrofluoren-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;2-pyridin-2-ylpyridine

C38H24IrN3- — CID 59621773

About 3-(3,9-dihydrofluoren-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;2-pyridin-2-ylpyridine

3-(3,9-dihydrofluoren-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;2-pyridin-2-ylpyridine (PubChem CID 59621773) has the molecular formula C38H24IrN3- and a molecular weight of 714.85 g/mol. Its IUPAC name is 3-(3,9-dihydrofluoren-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;2-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 3-(3,9-dihydrofluoren-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;2-pyridin-2-ylpyridine
• PubChem CID: 59621773
• Molecular Formula: C38H24IrN3-
• Molecular Weight: 714.85 g/mol
• Exact Mass: 715.16
• IUPAC Name: 3-(3,9-dihydrofluoren-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;2-pyridin-2-ylpyridine
• SMILES: [Ir].[c-]1cc2c(cc1-c1cc3c4c(cccc4n1)-c1ccccc1-3)Cc1ccccc1-2.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C28H16N.C10H8N2.Ir/c1-2-7-20-17(6-1)14-19-15-18(12-13-21(19)20)27-16-25-23-9-4-3-8-22(23)24-10-5-11-26(29-27)28(24)25;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-11,13,15-16H,14H2;1-8H;/q-1
• InChIKey: NIIXQWXZYJSRTJ-UHFFFAOYSA-N
• XLogP: 9.06
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.85
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3,9-dihydrofluoren-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;2-pyridin-2-ylpyridine?

The IUPAC name of 3-(3,9-dihydrofluoren-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;2-pyridin-2-ylpyridine (CID 59621773) is 3-(3,9-dihydrofluoren-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;2-pyridin-2-ylpyridine.

What is the SMILES notation for 3-(3,9-dihydrofluoren-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;2-pyridin-2-ylpyridine?

The canonical SMILES for 3-(3,9-dihydrofluoren-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;2-pyridin-2-ylpyridine is [Ir].[c-]1cc2c(cc1-c1cc3c4c(cccc4n1)-c1ccccc1-3)Cc1ccccc1-2.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 3-(3,9-dihydrofluoren-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;2-pyridin-2-ylpyridine?

The InChIKey is NIIXQWXZYJSRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N.C10H8N2.Ir/c1-2-7-20-17(6-1)14-19-15-18(12-13-21(19)20)27-16-25-23-9-4-3-8-22(23)24-10-5-11-26(29-27)28(24)25;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-11,13,15-16H,14H2;1-8H;/q-1;;.

What are the key properties of 3-(3,9-dihydrofluoren-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;2-pyridin-2-ylpyridine?

3-(3,9-dihydrofluoren-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;2-pyridin-2-ylpyridine has a molecular weight of 714.85 g/mol, XLogP of 9.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,9-dihydrofluoren-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium;2-pyridin-2-ylpyridine is sourced from PubChem (CID 59621773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).