1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine

C124H80Ir3N26O2-6 — CID 162256148

IUPAC1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine
SMILESCc1ccc(-c2[c-]ccc3c4ccccc4n(-c4ccccn4)c23)nc1.Cn1c2ccccc2c2cc[c-]c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccn3)c21.O=[N+]([O-])c1c[c-]c(-c2nnc(-c3ccccn3)nn2)cc1.[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)C(c1cccnc1)(c1ccccn1)c1ccccc1-2.[c-]1ccccc1-c1nnc(-c2ccccc2)nn1.[c-]1ccccc1-c1nnc(-c2ccccn2)nn1
InChIInChI=1S/C33H22N5.C28H18N3.C23H16N3.C14H9N4.C13H7N6O2.C13H8N5.3Ir/c1-38-29-18-9-8-15-25(29)26-16-10-17-27(30(26)38)28-21-24(19-20-34-28)33-36-31(22-11-4-2-5-12-22)35-32(37-33)23-13-6-3-7-14-23;1-2-13-24-21(10-1)22-11-7-12-23(25-14-3-5-17-30-25)27(22)28(24,20-9-8-16-29-19-20)26-15-4-6-18-31-26;1-16-12-13-20(25-15-16)19-9-6-8-18-17-7-2-3-10-21(17)26(23(18)19)22-11-4-5-14-24-22;1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12;20-19(21)10-6-4-9(5-7-10)12-15-17-13(18-16-12)11-3-1-2-8-14-11;1-2-6-10(7-3-1)12-15-17-13(18-16-12)11-8-4-5-9-14-11;;;/h2-16,18-21H,1H3;1-11,13-19H;2-8,10-15H,1H3;1-9H;1-4,6-8H;1-6,8-9H;;;/q6*-1;;;
InChIKeyYHNHBOPRXOEKPR-UHFFFAOYSA-N
MW2542.83 g/mol
LogP24.32
Rot. Bonds16

About 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine

1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine (PubChem CID 162256148) has the molecular formula C124H80Ir3N26O2-6 and a molecular weight of 2542.83 g/mol. Its IUPAC name is 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine.

Molecular Properties

Compound Name1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine
PubChem CID162256148
Molecular FormulaC124H80Ir3N26O2-6
Molecular Weight2542.83 g/mol
Exact Mass2543.59
IUPAC Name1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine
SMILESCc1ccc(-c2[c-]ccc3c4ccccc4n(-c4ccccn4)c23)nc1.Cn1c2ccccc2c2cc[c-]c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccn3)c21.O=[N+]([O-])c1c[c-]c(-c2nnc(-c3ccccn3)nn2)cc1.[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)C(c1cccnc1)(c1ccccn1)c1ccccc1-2.[c-]1ccccc1-c1nnc(-c2ccccc2)nn1.[c-]1ccccc1-c1nnc(-c2ccccn2)nn1
InChIInChI=1S/C33H22N5.C28H18N3.C23H16N3.C14H9N4.C13H7N6O2.C13H8N5.3Ir/c1-38-29-18-9-8-15-25(29)26-16-10-17-27(30(26)38)28-21-24(19-20-34-28)33-36-31(22-11-4-2-5-12-22)35-32(37-33)23-13-6-3-7-14-23;1-2-13-24-21(10-1)22-11-7-12-23(25-14-3-5-17-30-25)27(22)28(24,20-9-8-16-29-19-20)26-15-4-6-18-31-26;1-16-12-13-20(25-15-16)19-9-6-8-18-17-7-2-3-10-21(17)26(23(18)19)22-11-4-5-14-24-22;1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12;20-19(21)10-6-4-9(5-7-10)12-15-17-13(18-16-12)11-3-1-2-8-14-11;1-2-6-10(7-3-1)12-15-17-13(18-16-12)11-8-4-5-9-14-11;;;/h2-16,18-21H,1H3;1-11,13-19H;2-8,10-15H,1H3;1-9H;1-4,6-8H;1-6,8-9H;;;/q6*-1;;;
InChIKeyYHNHBOPRXOEKPR-UHFFFAOYSA-N
XLogP24.32
TPSA349.47 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002542.83
LogP ≤ 524.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine with MolForge

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Related Compounds

tris(iridium);9-methyl-3-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-phenyl-1,2,4,5-tetrazine;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine
CID 160682310
9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;iridium;9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide
CID 153468266
bis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-phenyl-1,2,4,5-tetrazine;1-phenyl-6-pyridin-4-ylisoquinoline;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(6-pyridin-3-yl-2H-naphthalen-2-id-1-yl)pyridine;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine
CID 162261570
iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine
CID 153468241
benzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene
CID 160773344
bis(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;3-[3-(1-phenylimidazol-2-yl)benzene-4-id-1-yl]pyridine;9-phenyl-3-(2-pyrazol-2-id-3-yl-4-pyridinyl)carbazole;bis(3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine);3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine
CID 158969433
2-(2H-dibenzofuran-2-id-3-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine)
CID 162181234
2-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 157262568
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
CID 156686759
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 160814646
4-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 162175263
10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 159559491

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine?
The IUPAC name of 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine (CID 162256148) is 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine.
What is the SMILES notation for 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine?
The canonical SMILES for 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine is Cc1ccc(-c2[c-]ccc3c4ccccc4n(-c4ccccn4)c23)nc1.Cn1c2ccccc2c2cc[c-]c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccn3)c21.O=[N+]([O-])c1c[c-]c(-c2nnc(-c3ccccn3)nn2)cc1.[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)C(c1cccnc1)(c1ccccn1)c1ccccc1-2.[c-]1ccccc1-c1nnc(-c2ccccc2)nn1.[c-]1ccccc1-c1nnc(-c2ccccn2)nn1.
What is the InChIKey of 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine?
The InChIKey is YHNHBOPRXOEKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N5.C28H18N3.C23H16N3.C14H9N4.C13H7N6O2.C13H8N5.3Ir/c1-38-29-18-9-8-15-25(29)26-16-10-17-27(30(26)38)28-21-24(19-20-34-28)33-36-31(22-11-4-2-5-12-22)35-32(37-33)23-13-6-3-7-14-23;1-2-13-24-21(10-1)22-11-7-12-23(25-14-3-5-17-30-25)27(22)28(24,20-9-8-16-29-19-20)26-15-4-6-18-31-26;1-16-12-13-20(25-15-16)19-9-6-8-18-17-7-2-3-10-21(17)26(23(18)19)22-11-4-5-14-24-22;1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12;20-19(21)10-6-4-9(5-7-10)12-15-17-13(18-16-12)11-3-1-2-8-14-11;1-2-6-10(7-3-1)12-15-17-13(18-16-12)11-8-4-5-9-14-11;;;/h2-16,18-21H,1H3;1-11,13-19H;2-8,10-15H,1H3;1-9H;1-4,6-8H;1-6,8-9H;;;/q6*-1;;;.
What are the key properties of 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine?
1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine has a molecular weight of 2542.83 g/mol, XLogP of 24.32, 16 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tris(iridium);1-(5-methyl-2-pyridinyl)-9-pyridin-2-yl-2H-carbazol-2-ide;3-(4-nitrobenzene-6-id-1-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;2-(1-pyridin-2-yl-9-pyridin-3-yl-2H-fluoren-2-id-9-yl)pyridine is sourced from PubChem (CID 162256148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).