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;tetrakis(iridium(3+));tetrakis(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide

C105H113Cl2F6Ir6N13O7 — CID 157492512

IUPACcarbanide;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;tetrakis(iridium(3+));tetrakis(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide
SMILESCN(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-]N(C)C.CO[CH-]c1ccccc1.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+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C13H11F2N2.C12H8F2NO.C11H6F2N.3C11H8N.2C8H9O.4C4H10NO.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;2*1-9-7-8-5-3-2-4-6-8;4*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*2-7H,1H3;4*4H,1-3H3;;;2*1H3;2*1H;;;;;;/q16*-1;;;6*+3/p-2
InChIKeyTUWFXDBFFMSVOZ-UHFFFAOYSA-L
MW3007.34 g/mol
LogP23.60
Rot. Bonds20

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;tetrakis(iridium(3+));tetrakis(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;tetrakis(iridium(3+));tetrakis(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide (PubChem CID 157492512) has the molecular formula C105H113Cl2F6Ir6N13O7 and a molecular weight of 3007.34 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;tetrakis(iridium(3+));tetrakis(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide.

Molecular Properties

Compound Namecarbanide;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;tetrakis(iridium(3+));tetrakis(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide
PubChem CID157492512
Molecular FormulaC105H113Cl2F6Ir6N13O7
Molecular Weight3007.34 g/mol
Exact Mass3009.59
IUPAC Namecarbanide;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;tetrakis(iridium(3+));tetrakis(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide
SMILESCN(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-]N(C)C.CO[CH-]c1ccccc1.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+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C13H11F2N2.C12H8F2NO.C11H6F2N.3C11H8N.2C8H9O.4C4H10NO.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;2*1-9-7-8-5-3-2-4-6-8;4*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*2-7H,1H3;4*4H,1-3H3;;;2*1H3;2*1H;;;;;;/q16*-1;;;6*+3/p-2
InChIKeyTUWFXDBFFMSVOZ-UHFFFAOYSA-L
XLogP23.60
TPSA205.73 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003007.34
LogP ≤ 523.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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;tetrakis(iridium(3+));tetrakis(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide with MolForge

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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;tetrakis(iridium(3+));tetrakis(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;tetrakis(iridium(3+));tetrakis(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide (CID 157492512) 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;tetrakis(iridium(3+));tetrakis(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;tetrakis(iridium(3+));tetrakis(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;tetrakis(iridium(3+));tetrakis(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-]N(C)C.CO[CH-]c1ccccc1.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+3].[Ir+3].[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;tetrakis(iridium(3+));tetrakis(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide?
The InChIKey is TUWFXDBFFMSVOZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H11F2N2.C12H8F2NO.C11H6F2N.3C11H8N.2C8H9O.4C4H10NO.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;2*1-9-7-8-5-3-2-4-6-8;4*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*2-7H,1H3;4*4H,1-3H3;;;2*1H3;2*1H;;;;;;/q16*-1;;;6*+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;tetrakis(iridium(3+));tetrakis(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;tetrakis(iridium(3+));tetrakis(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide has a molecular weight of 3007.34 g/mol, XLogP of 23.60, 20 rotatable bonds, 0 hydrogen bond donors, and 20 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;tetrakis(iridium(3+));tetrakis(1-methoxy-N,N-dimethylmethanamine);methoxymethylbenzene;tris(2-phenylpyridine);dicyanide is sourced from PubChem (CID 157492512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).