CID 160965715

C106H82Ir5N16O2-10 — CID 160965715

About CID 160965715

CID 160965715 (PubChem CID 160965715) has the molecular formula C106H82Ir5N16O2-10 and a molecular weight of 2573.02 g/mol.

Molecular Properties

• Compound Name: CID 160965715
• PubChem CID: 160965715
• Molecular Formula: C106H82Ir5N16O2-10
• Molecular Weight: 2573.02 g/mol
• Exact Mass: 2575.50
• IUPAC Name: —
• SMILES: CC(C)N1[CH-]N(c2[c-]cc3c(c2)oc2ccccc23)c2ncccc21.CC(C)N1[CH-]N(c2[c-]cccc2)c2nc(-c3ccccc3)ccc21.CC(C)N1[CH-]N(c2[c-]cccc2)c2nc3c(cc21)oc1ccccc13.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2c1ncc1ccccc21.[c-]1ccccc1N1[CH-]N(c2ccccc2)c2c1ncc1ccncc21
• InChI: InChI=1S/C22H15N3.C21H14N4.2C21H17N3O.C21H19N3.5Ir/c1-3-10-18(11-4-1)24-16-25(19-12-5-2-6-13-19)22-21(24)20-14-8-7-9-17(20)15-23-22;1-3-7-17(8-4-1)24-15-25(18-9-5-2-6-10-18)21-20(24)19-14-22-12-11-16(19)13-23-21;1-14(2)23-13-24(21-18(23)7-5-11-22-21)15-9-10-17-16-6-3-4-8-19(16)25-20(17)12-15;1-14(2)23-13-24(15-8-4-3-5-9-15)21-17(23)12-19-20(22-21)16-10-6-7-11-18(16)25-19;1-16(2)23-15-24(18-11-7-4-8-12-18)21-20(23)14-13-19(22-21)17-9-5-3-6-10-17;;;;;/h1-12,14-16H;1-9,11-15H;2*3-8,10-14H,1-2H3;3-11,13-16H,1-2H3;;;;;/q5*-2
• InChIKey: IZDYQTHGVLTCQV-UHFFFAOYSA-N
• XLogP: 25.84
• TPSA: 136.02 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2573.02
LogP ≤ 5	25.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 160965715?

The IUPAC name of CID 160965715 (CID 160965715) is not available.

What is the SMILES notation for CID 160965715?

The canonical SMILES for CID 160965715 is CC(C)N1[CH-]N(c2[c-]cc3c(c2)oc2ccccc23)c2ncccc21.CC(C)N1[CH-]N(c2[c-]cccc2)c2nc(-c3ccccc3)ccc21.CC(C)N1[CH-]N(c2[c-]cccc2)c2nc3c(cc21)oc1ccccc13.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2c1ncc1ccccc21.[c-]1ccccc1N1[CH-]N(c2ccccc2)c2c1ncc1ccncc21.

What is the InChIKey of CID 160965715?

The InChIKey is IZDYQTHGVLTCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3.C21H14N4.2C21H17N3O.C21H19N3.5Ir/c1-3-10-18(11-4-1)24-16-25(19-12-5-2-6-13-19)22-21(24)20-14-8-7-9-17(20)15-23-22;1-3-7-17(8-4-1)24-15-25(18-9-5-2-6-10-18)21-20(24)19-14-22-12-11-16(19)13-23-21;1-14(2)23-13-24(21-18(23)7-5-11-22-21)15-9-10-17-16-6-3-4-8-19(16)25-20(17)12-15;1-14(2)23-13-24(15-8-4-3-5-9-15)21-17(23)12-19-20(22-21)16-10-6-7-11-18(16)25-19;1-16(2)23-15-24(18-11-7-4-8-12-18)21-20(23)14-13-19(22-21)17-9-5-3-6-10-17;;;;;/h1-12,14-16H;1-9,11-15H;2*3-8,10-14H,1-2H3;3-11,13-16H,1-2H3;;;;;/q5*-2;;;;;.

What are the key properties of CID 160965715?

CID 160965715 has a molecular weight of 2573.02 g/mol, XLogP of 25.84, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for CID 160965715 is sourced from PubChem (CID 160965715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).