2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C222H188F3Ir4N31-12 — CID 158235625

IUPAC2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1.c1ccc(-c2nnn[n-]2)nc1
InChIInChI=1S/8C24H21N2.C9H5F3N3.C8H6N3.C7H5N4.C6H4N5.4Ir/c8*1-18-14-15-22(19(2)16-18)26-17-25(3)23(20-10-6-4-7-11-20)24(26)21-12-8-5-9-13-21;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-2-5-9-7(3-1)8-4-6-10-11-8;1-2-4-8-6(3-1)7-5-9-11-10-7;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;/h8*4-14,16H,1-3H3;1-5H;1-6H;1-5H;1-4H;;;;/q12*-1;;;;
InChIKeyJAWZPRHBYUXUEM-UHFFFAOYSA-N
MW4116.02 g/mol
LogP42.42
Rot. Bonds28

About 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158235625) has the molecular formula C222H188F3Ir4N31-12 and a molecular weight of 4116.02 g/mol. Its IUPAC name is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID158235625
Molecular FormulaC222H188F3Ir4N31-12
Molecular Weight4116.02 g/mol
Exact Mass4116.42
IUPAC Name2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1.c1ccc(-c2nnn[n-]2)nc1
InChIInChI=1S/8C24H21N2.C9H5F3N3.C8H6N3.C7H5N4.C6H4N5.4Ir/c8*1-18-14-15-22(19(2)16-18)26-17-25(3)23(20-10-6-4-7-11-20)24(26)21-12-8-5-9-13-21;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-2-5-9-7(3-1)8-4-6-10-11-8;1-2-4-8-6(3-1)7-5-9-11-10-7;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;/h8*4-14,16H,1-3H3;1-5H;1-6H;1-5H;1-4H;;;;/q12*-1;;;;
InChIKeyJAWZPRHBYUXUEM-UHFFFAOYSA-N
XLogP42.42
TPSA268.67 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004116.02
LogP ≤ 542.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158235625) is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.Cc1c[c-]c(-n2[c-][n+](C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1.c1ccc(-c2nnn[n-]2)nc1.
What is the InChIKey of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is JAWZPRHBYUXUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/8C24H21N2.C9H5F3N3.C8H6N3.C7H5N4.C6H4N5.4Ir/c8*1-18-14-15-22(19(2)16-18)26-17-25(3)23(20-10-6-4-7-11-20)24(26)21-12-8-5-9-13-21;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-2-5-9-7(3-1)8-4-6-10-11-8;1-2-4-8-6(3-1)7-5-9-11-10-7;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;/h8*4-14,16H,1-3H3;1-5H;1-6H;1-5H;1-4H;;;;/q12*-1;;;;.
What are the key properties of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 4116.02 g/mol, XLogP of 42.42, 28 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;octakis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 158235625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).