N,N-dibenzyl-3-(3,5-dimethylpyrazin-2-yl)benzene-4-id-1-amine;bis(3-(3,5-dimethylpyrazin-2-yl)-N-ethyl-N-methylbenzene-4-id-1-amine);tris(iridium);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

About N,N-dibenzyl-3-(3,5-dimethylpyrazin-2-yl)benzene-4-id-1-amine;bis(3-(3,5-dimethylpyrazin-2-yl)-N-ethyl-N-methylbenzene-4-id-1-amine);tris(iridium);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

N,N-dibenzyl-3-(3,5-dimethylpyrazin-2-yl)benzene-4-id-1-amine;bis(3-(3,5-dimethylpyrazin-2-yl)-N-ethyl-N-methylbenzene-4-id-1-amine);tris(iridium);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 158093987) has the molecular formula C75H81F3Ir3N14O4-4 and a molecular weight of 1876.21 g/mol. Its IUPAC name is N,N-dibenzyl-3-(3,5-dimethylpyrazin-2-yl)benzene-4-id-1-amine;bis(3-(3,5-dimethylpyrazin-2-yl)-N-ethyl-N-methylbenzene-4-id-1-amine);tris(iridium);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

Molecular Properties

Compound Name	N,N-dibenzyl-3-(3,5-dimethylpyrazin-2-yl)benzene-4-id-1-amine;bis(3-(3,5-dimethylpyrazin-2-yl)-N-ethyl-N-methylbenzene-4-id-1-amine);tris(iridium);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
PubChem CID	158093987
Molecular Formula	C75H81F3Ir3N14O4-4
Molecular Weight	1876.21 g/mol
Exact Mass	1877.54
IUPAC Name	N,N-dibenzyl-3-(3,5-dimethylpyrazin-2-yl)benzene-4-id-1-amine;bis(3-(3,5-dimethylpyrazin-2-yl)-N-ethyl-N-methylbenzene-4-id-1-amine);tris(iridium);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
SMILES	CC(O)CC(C)O.CCN(C)c1cc[c-]c(-c2ncc(C)nc2C)c1.CCN(C)c1cc[c-]c(-c2ncc(C)nc2C)c1.Cc1cnc(-c2[c-]ccc(N(Cc3ccccc3)Cc3ccccc3)c2)c(C)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir]
InChI	InChI=1S/C26H24N3.2C15H18N3.C8H4F3N4.C6H5NO2.C5H12O2.3Ir/c1-20-17-27-26(21(2)28-20)24-14-9-15-25(16-24)29(18-22-10-5-3-6-11-22)19-23-12-7-4-8-13-23;21-5-18(4)14-8-6-7-13(9-14)15-12(3)17-11(2)10-16-15;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;/h3-13,15-17H,18-19H2,1-2H3;26,8-10H,5H2,1-4H3;1-4H;1-4H,(H,8,9);4-7H,3H2,1-2H3;;;/q4*-1;;;;;
InChIKey	MVERDWRXWRDLLV-UHFFFAOYSA-N
XLogP	14.23
TPSA	230.48 Å²
H-Bond Donors	3
H-Bond Acceptors	16
Rotatable Bonds	16
Heavy Atoms	99
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1876.21
LogP ≤ 5	14.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-(3,5-dimethylpyrazin-2-yl)benzene-4-id-1-amine;bis(3-(3,5-dimethylpyrazin-2-yl)-N-ethyl-N-methylbenzene-4-id-1-amine);tris(iridium);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The IUPAC name of N,N-dibenzyl-3-(3,5-dimethylpyrazin-2-yl)benzene-4-id-1-amine;bis(3-(3,5-dimethylpyrazin-2-yl)-N-ethyl-N-methylbenzene-4-id-1-amine);tris(iridium);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 158093987) is N,N-dibenzyl-3-(3,5-dimethylpyrazin-2-yl)benzene-4-id-1-amine;bis(3-(3,5-dimethylpyrazin-2-yl)-N-ethyl-N-methylbenzene-4-id-1-amine);tris(iridium);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

What is the SMILES notation for N,N-dibenzyl-3-(3,5-dimethylpyrazin-2-yl)benzene-4-id-1-amine;bis(3-(3,5-dimethylpyrazin-2-yl)-N-ethyl-N-methylbenzene-4-id-1-amine);tris(iridium);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The canonical SMILES for N,N-dibenzyl-3-(3,5-dimethylpyrazin-2-yl)benzene-4-id-1-amine;bis(3-(3,5-dimethylpyrazin-2-yl)-N-ethyl-N-methylbenzene-4-id-1-amine);tris(iridium);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is CC(O)CC(C)O.CCN(C)c1cc[c-]c(-c2ncc(C)nc2C)c1.CCN(C)c1cc[c-]c(-c2ncc(C)nc2C)c1.Cc1cnc(-c2[c-]ccc(N(Cc3ccccc3)Cc3ccccc3)c2)c(C)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].

What is the InChIKey of N,N-dibenzyl-3-(3,5-dimethylpyrazin-2-yl)benzene-4-id-1-amine;bis(3-(3,5-dimethylpyrazin-2-yl)-N-ethyl-N-methylbenzene-4-id-1-amine);tris(iridium);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The InChIKey is MVERDWRXWRDLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N3.2C15H18N3.C8H4F3N4.C6H5NO2.C5H12O2.3Ir/c1-20-17-27-26(21(2)28-20)24-14-9-15-25(16-24)29(18-22-10-5-3-6-11-22)19-23-12-7-4-8-13-23;2*1-5-18(4)14-8-6-7-13(9-14)15-12(3)17-11(2)10-16-15;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;/h3-13,15-17H,18-19H2,1-2H3;2*6,8-10H,5H2,1-4H3;1-4H;1-4H,(H,8,9);4-7H,3H2,1-2H3;;;/q4*-1;;;;;.

What are the key properties of N,N-dibenzyl-3-(3,5-dimethylpyrazin-2-yl)benzene-4-id-1-amine;bis(3-(3,5-dimethylpyrazin-2-yl)-N-ethyl-N-methylbenzene-4-id-1-amine);tris(iridium);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

Where does this data come from?

All data for N,N-dibenzyl-3-(3,5-dimethylpyrazin-2-yl)benzene-4-id-1-amine;bis(3-(3,5-dimethylpyrazin-2-yl)-N-ethyl-N-methylbenzene-4-id-1-amine);tris(iridium);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is sourced from PubChem (CID 158093987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).