2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

C215H153F3Ir3N23-9 — CID 158750961

IUPAC2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
SMILESC[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.C[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.C[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.C[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.C[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.C[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1
InChIInChI=1S/6C32H23N2.C8H4F3N4.C8H6N3.C7H5N4.3Ir/c6*1-33-21-34(32(26-11-6-3-7-12-26)31(33)25-9-4-2-5-10-25)28-20-18-24-16-15-22-13-8-14-23-17-19-27(28)30(24)29(22)23;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;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;;;/h6*2-12,14-15,17-19H,13,16H2,1H3;1-4H;1-6H;1-5H;;;/q9*-1;;;
InChIKeyUWFBFGFAJYDWDU-UHFFFAOYSA-N
MW3692.39 g/mol
LogP43.58
Rot. Bonds21

About 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 158750961) has the molecular formula C215H153F3Ir3N23-9 and a molecular weight of 3692.39 g/mol. Its IUPAC name is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

Molecular Properties

Compound Name2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
PubChem CID158750961
Molecular FormulaC215H153F3Ir3N23-9
Molecular Weight3692.39 g/mol
Exact Mass3692.16
IUPAC Name2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
SMILESC[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.C[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.C[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.C[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.C[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.C[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1
InChIInChI=1S/6C32H23N2.C8H4F3N4.C8H6N3.C7H5N4.3Ir/c6*1-33-21-34(32(26-11-6-3-7-12-26)31(33)25-9-4-2-5-10-25)28-20-18-24-16-15-22-13-8-14-23-17-19-27(28)30(24)29(22)23;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;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;;;/h6*2-12,14-15,17-19H,13,16H2,1H3;1-4H;1-6H;1-5H;;;/q9*-1;;;
InChIKeyUWFBFGFAJYDWDU-UHFFFAOYSA-N
XLogP43.58
TPSA198.28 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003692.39
LogP ≤ 543.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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

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Related Compounds

Bis(2-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine);bis(2-[4-[4-(1,1,2,2,3,3-hexafluoropropyl)phenyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine);bis(iron(3+));tetraisothiocyanate
CID 139142845
Tetrakis(dimethyl(phenyl)phosphanium);bis(osmium(2+));bis(2-pyridin-2-ylpyridine);3-(trifluoromethyl)-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-1,4-diaza-2-azanidacyclopenta-3,5-diene;3-(trifluoromethyl)-5-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]-1,4-diaza-2-azanidacyclopenta-3,5-diene
CID 168338209
2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine
CID 23548215
Iridium;4-methyl-2-phenylpyridine;3-pyrazol-1-yl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene
CID 57596570
iridium;bis(1-methyl-3-(10H-phenanthren-10-id-9-yl)-2H-imidazol-1-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738126
iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(1,4,5-trimethyl-3-(2H-naphthalen-2-id-1-yl)-2H-imidazol-1-ium-2-ide)
CID 57738166
bis(1-(2,4-difluorobenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738187
iridium;bis(1-methyl-3-(10H-phenanthren-10-id-9-yl)-2H-benzimidazol-1-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738214
1-(4,6,8a,10c-tetrahydro-2H-pyren-2-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide;1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide;iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738252
bis(1-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-pyrazol-2-id-3-ylpyridine
CID 57738264
bis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738269
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-2H-benzimidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738274

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The IUPAC name of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 158750961) is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.
What is the SMILES notation for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The canonical SMILES for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is C[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.C[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.C[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.C[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.C[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.C[n+]1[c-]n(-c2[c-]cc3c4c5c(ccc24)C=CCC5=CC3)c(-c2ccccc2)c1-c1ccccc1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1.
What is the InChIKey of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The InChIKey is UWFBFGFAJYDWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C32H23N2.C8H4F3N4.C8H6N3.C7H5N4.3Ir/c6*1-33-21-34(32(26-11-6-3-7-12-26)31(33)25-9-4-2-5-10-25)28-20-18-24-16-15-22-13-8-14-23-17-19-27(28)30(24)29(22)23;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;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;;;/h6*2-12,14-15,17-19H,13,16H2,1H3;1-4H;1-6H;1-5H;;;/q9*-1;;;.
What are the key properties of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine has a molecular weight of 3692.39 g/mol, XLogP of 43.58, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is sourced from PubChem (CID 158750961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).