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

C117H77Ir3N21O2-6 — CID 160682310

IUPACtris(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
SMILESCc1ccc(-c2[c-]ccc3c4ccccc4n(-c4ccccn4)c23)nc1.Cn1c2ccccc2c2cc(-c3cc[c-]c(-c4ccccn4)c3)ccc21.O=[N+]([O-])c1c[c-]c(-c2nnc(-c3ccccc3)nn2)cc1.[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)C(c1cccnc1)(c1ccccn1)c1ccccc1-2.[c-]1ccccc1-c1nnc(-c2ccccc2)nn1.[c-]1ccccc1-c1nnc(-c2ccccc2)nn1
InChIInChI=1S/C28H18N3.C24H17N2.C23H16N3.C14H8N5O2.2C14H9N4.3Ir/c1-2-13-24-21(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;1-26-23-11-3-2-9-20(23)21-16-18(12-13-24(21)26)17-7-6-8-19(15-17)22-10-4-5-14-25-22;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;20-19(21)12-8-6-11(7-9-12)14-17-15-13(16-18-14)10-4-2-1-3-5-10;2*1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12;;;/h1-11,13-19H;2-7,9-16H,1H3;2-8,10-15H,1H3;1-6,8-9H;2*1-9H;;;/q6*-1;;;
InChIKeyQWBPPVPURFSPOV-UHFFFAOYSA-N
MW2385.70 g/mol
LogP24.01
Rot. Bonds14

About 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

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 (PubChem CID 160682310) has the molecular formula C117H77Ir3N21O2-6 and a molecular weight of 2385.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametris(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
PubChem CID160682310
Molecular FormulaC117H77Ir3N21O2-6
Molecular Weight2385.70 g/mol
Exact Mass2386.55
IUPAC Nametris(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
SMILESCc1ccc(-c2[c-]ccc3c4ccccc4n(-c4ccccn4)c23)nc1.Cn1c2ccccc2c2cc(-c3cc[c-]c(-c4ccccn4)c3)ccc21.O=[N+]([O-])c1c[c-]c(-c2nnc(-c3ccccc3)nn2)cc1.[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)C(c1cccnc1)(c1ccccn1)c1ccccc1-2.[c-]1ccccc1-c1nnc(-c2ccccc2)nn1.[c-]1ccccc1-c1nnc(-c2ccccc2)nn1
InChIInChI=1S/C28H18N3.C24H17N2.C23H16N3.C14H8N5O2.2C14H9N4.3Ir/c1-2-13-24-21(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;1-26-23-11-3-2-9-20(23)21-16-18(12-13-24(21)26)17-7-6-8-19(15-17)22-10-4-5-14-25-22;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;20-19(21)12-8-6-11(7-9-12)14-17-15-13(16-18-14)10-4-2-1-3-5-10;2*1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12;;;/h1-11,13-19H;2-7,9-16H,1H3;2-8,10-15H,1H3;1-6,8-9H;2*1-9H;;;/q6*-1;;;
InChIKeyQWBPPVPURFSPOV-UHFFFAOYSA-N
XLogP24.01
TPSA285.02 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002385.70
LogP ≤ 524.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

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 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
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;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole
CID 153423282
iridium;5-methyl-2-phenylpyridine;4-[3-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-7H-dibenzofuran-7-ide-3-carbonitrile
CID 165386049
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
iridium(3+);9-phenyl-5-(2-phenyl-4-pyridinyl)-3-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;9-pyridin-2-yl-1H-carbazol-1-ide
CID 171438511
CID 164803445
CID 164803445
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
iridium;9-[4-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-3,6-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)carbazole
CID 58793207
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2[c-]ccc3c4ccccc4n(-c4ccccn4)c23)nc1.Cn1c2ccccc2c2cc(-c3cc[c-]c(-c4ccccn4)c3)ccc21.O=[N+]([O-])c1c[c-]c(-c2nnc(-c3ccccc3)nn2)cc1.[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)C(c1cccnc1)(c1ccccn1)c1ccccc1-2.[c-]1ccccc1-c1nnc(-c2ccccc2)nn1.[c-]1ccccc1-c1nnc(-c2ccccc2)nn1.
What is the InChIKey of 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?
The InChIKey is QWBPPVPURFSPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N3.C24H17N2.C23H16N3.C14H8N5O2.2C14H9N4.3Ir/c1-2-13-24-21(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;1-26-23-11-3-2-9-20(23)21-16-18(12-13-24(21)26)17-7-6-8-19(15-17)22-10-4-5-14-25-22;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;20-19(21)12-8-6-11(7-9-12)14-17-15-13(16-18-14)10-4-2-1-3-5-10;2*1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12;;;/h1-11,13-19H;2-7,9-16H,1H3;2-8,10-15H,1H3;1-6,8-9H;2*1-9H;;;/q6*-1;;;.
What are the key properties of 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?
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 has a molecular weight of 2385.70 g/mol, XLogP of 24.01, 14 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160682310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).