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

C257H166F3Ir3N24-9 — CID 158186335

IUPACbis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[c-]1cc2c3c4c(ccc3c1-n1[c-][n+](-c3ccc5ccc6cccc7ccc3c5c67)c(-c3ccccc3)c1-c1ccccc1)C=CCC4=CC2.[c-]1cc2c3c4c(ccc3c1-n1[c-][n+](-c3ccc5ccc6cccc7ccc3c5c67)c(-c3ccccc3)c1-c1ccccc1)C=CCC4=CC2.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1.c1ccc(-c2nnn[n-]2)nc1
InChIInChI=1S/2C47H29N2.4C35H23N2.C9H5F3N3.C8H7N4.C6H4N5.3Ir/c2*1-3-9-36(10-4-1)46-47(37-11-5-2-6-12-37)49(41-28-24-35-20-18-31-14-8-16-33-22-26-39(41)45(35)43(31)33)29-48(46)40-27-23-34-19-17-30-13-7-15-32-21-25-38(40)44(34)42(30)32;4*1-3-15-28(16-4-1)34-35(29-17-5-2-6-18-29)37(33-24-12-20-27-14-8-10-22-31(27)33)25-36(34)32-23-11-19-26-13-7-9-21-30(26)32;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-7-5(3-1)6-8-10-11-9-6;;;/h2*1-13,15-19,21-27H,14,20H2;4*1-23H;1-5H;2-5H,1H3;1-4H;;;/q9*-1;;;
InChIKeyVMYKEOGIUMBYOG-UHFFFAOYSA-N
MW4223.97 g/mol
LogP56.98
Rot. Bonds27

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

bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158186335) has the molecular formula C257H166F3Ir3N24-9 and a molecular weight of 4223.97 g/mol. Its IUPAC name is bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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 Namebis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID158186335
Molecular FormulaC257H166F3Ir3N24-9
Molecular Weight4223.97 g/mol
Exact Mass4223.26
IUPAC Namebis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[c-]1cc2c3c4c(ccc3c1-n1[c-][n+](-c3ccc5ccc6cccc7ccc3c5c67)c(-c3ccccc3)c1-c1ccccc1)C=CCC4=CC2.[c-]1cc2c3c4c(ccc3c1-n1[c-][n+](-c3ccc5ccc6cccc7ccc3c5c67)c(-c3ccccc3)c1-c1ccccc1)C=CCC4=CC2.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1.c1ccc(-c2nnn[n-]2)nc1
InChIInChI=1S/2C47H29N2.4C35H23N2.C9H5F3N3.C8H7N4.C6H4N5.3Ir/c2*1-3-9-36(10-4-1)46-47(37-11-5-2-6-12-37)49(41-28-24-35-20-18-31-14-8-16-33-22-26-39(41)45(35)43(31)33)29-48(46)40-27-23-34-19-17-30-13-7-15-32-21-25-38(40)44(34)42(30)32;4*1-3-15-28(16-4-1)34-35(29-17-5-2-6-18-29)37(33-24-12-20-27-14-8-10-22-31(27)33)25-36(34)32-23-11-19-26-13-7-9-21-30(26)32;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-7-5(3-1)6-8-10-11-9-6;;;/h2*1-13,15-19,21-27H,14,20H2;4*1-23H;1-5H;2-5H,1H3;1-4H;;;/q9*-1;;;
InChIKeyVMYKEOGIUMBYOG-UHFFFAOYSA-N
XLogP56.98
TPSA211.17 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms287
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004223.97
LogP ≤ 556.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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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Related Compounds

3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836542
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836648
7,10-ditert-butyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57730134
bis(4,5-dimethyl-1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738171
iridium;bis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738297
iridium;bis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-imidazol-3-ium-2-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738337
bis(4,5-dimethyl-1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738400
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-dimethyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738427
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738431
iridium;bis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738499
iridium;bis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738526

Frequently Asked Questions

What is the IUPAC name of bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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 bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158186335) is bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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 bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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 bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[c-]1cc2c3c4c(ccc3c1-n1[c-][n+](-c3ccc5ccc6cccc7ccc3c5c67)c(-c3ccccc3)c1-c1ccccc1)C=CCC4=CC2.[c-]1cc2c3c4c(ccc3c1-n1[c-][n+](-c3ccc5ccc6cccc7ccc3c5c67)c(-c3ccccc3)c1-c1ccccc1)C=CCC4=CC2.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1.c1ccc(-c2nnn[n-]2)nc1.
What is the InChIKey of bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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 VMYKEOGIUMBYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H29N2.4C35H23N2.C9H5F3N3.C8H7N4.C6H4N5.3Ir/c2*1-3-9-36(10-4-1)46-47(37-11-5-2-6-12-37)49(41-28-24-35-20-18-31-14-8-16-33-22-26-39(41)45(35)43(31)33)29-48(46)40-27-23-34-19-17-30-13-7-15-32-21-25-38(40)44(34)42(30)32;4*1-3-15-28(16-4-1)34-35(29-17-5-2-6-18-29)37(33-24-12-20-27-14-8-10-22-31(27)33)25-36(34)32-23-11-19-26-13-7-9-21-30(26)32;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-7-5(3-1)6-8-10-11-9-6;;;/h2*1-13,15-19,21-27H,14,20H2;4*1-23H;1-5H;2-5H,1H3;1-4H;;;/q9*-1;;;.
What are the key properties of bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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 4223.97 g/mol, XLogP of 56.98, 27 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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 158186335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).