carbanide;bis(chloroiridium(2+));2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);bis(iridium(3+));tris(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide

C93H94Cl2F6Ir6N12O5-4 — CID 158441276

About carbanide;bis(chloroiridium(2+));2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);bis(iridium(3+));tris(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide

carbanide;bis(chloroiridium(2+));2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);bis(iridium(3+));tris(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide (PubChem CID 158441276) has the molecular formula C93H94Cl2F6Ir6N12O5-4 and a molecular weight of 2798.05 g/mol. Its IUPAC name is carbanide;bis(chloroiridium(2+));2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);bis(iridium(3+));tris(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide.

Molecular Properties

• Compound Name: carbanide;bis(chloroiridium(2+));2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);bis(iridium(3+));tris(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide
• PubChem CID: 158441276
• Molecular Formula: C93H94Cl2F6Ir6N12O5-4
• Molecular Weight: 2798.05 g/mol
• Exact Mass: 2800.45
• IUPAC Name: carbanide;bis(chloroiridium(2+));2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);bis(iridium(3+));tris(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide
• SMILES: CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.CO[CH-]N(C)C.CO[CH-]N(C)C.CO[CH-]N(C)C.CO[CH-]c1ccccc1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.Cl[Ir+2].Cl[Ir+2].Fc1c[c-]c(-c2ccccn2)c(F)c1.[C-]#N.[C-]#N.[CH3-].[CH3-].[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C13H11F2N2.C12H8F2NO.C11H6F2N.3C11H8N.C8H9O.3C4H10NO.2CN.2CH3.2ClH.6Ir/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-9-7-8-5-3-2-4-6-8;3*1-5(2)4-6-3;2*1-2;;;;;;;;;;/h3,5-8H,1-2H3;2,4-7H,1H3;1-4,6-7H;3*1-6,8-9H;2-7H,1H3;3*4H,1-3H3;;;2*1H3;2*1H;;;;;;/q14*-1;;;;;4*+3/p-2
• InChIKey: APLPSDPEZMJSNQ-UHFFFAOYSA-L
• XLogP: 21.44
• TPSA: 184.03 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2798.05
LogP ≤ 5	21.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(chloroiridium(2+));2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);bis(iridium(3+));tris(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide?

The IUPAC name of carbanide;bis(chloroiridium(2+));2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);bis(iridium(3+));tris(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide (CID 158441276) is carbanide;bis(chloroiridium(2+));2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);bis(iridium(3+));tris(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide.

What is the SMILES notation for carbanide;bis(chloroiridium(2+));2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);bis(iridium(3+));tris(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide?

The canonical SMILES for carbanide;bis(chloroiridium(2+));2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);bis(iridium(3+));tris(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide is CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.CO[CH-]N(C)C.CO[CH-]N(C)C.CO[CH-]N(C)C.CO[CH-]c1ccccc1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.Cl[Ir+2].Cl[Ir+2].Fc1c[c-]c(-c2ccccn2)c(F)c1.[C-]#N.[C-]#N.[CH3-].[CH3-].[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of carbanide;bis(chloroiridium(2+));2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);bis(iridium(3+));tris(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide?

The InChIKey is APLPSDPEZMJSNQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H11F2N2.C12H8F2NO.C11H6F2N.3C11H8N.C8H9O.3C4H10NO.2CN.2CH3.2ClH.6Ir/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-9-7-8-5-3-2-4-6-8;3*1-5(2)4-6-3;2*1-2;;;;;;;;;;/h3,5-8H,1-2H3;2,4-7H,1H3;1-4,6-7H;3*1-6,8-9H;2-7H,1H3;3*4H,1-3H3;;;2*1H3;2*1H;;;;;;/q14*-1;;;;;4*+3/p-2.

What are the key properties of carbanide;bis(chloroiridium(2+));2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);bis(iridium(3+));tris(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide?

carbanide;bis(chloroiridium(2+));2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);bis(iridium(3+));tris(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide has a molecular weight of 2798.05 g/mol, XLogP of 21.44, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;bis(chloroiridium(2+));2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);bis(iridium(3+));tris(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide is sourced from PubChem (CID 158441276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).