1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole

C107H84Ir3N13OS — CID 158928036

IUPAC1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole
SMILESCN1C=CN(c2[c-]cc(-c3ccc4c(c3)oc3ccccc34)cc2)[CH-]1.CN1C=CN(c2[c-]cc(-c3ccc4c(c3)sc3ccccc34)cc2)[CH-]1.CN1[CH-]N(c2[c-]cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccccc21.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-n1cccn1
InChIInChI=1S/C32H23N3.C22H16N2O.C22H16N2S.2C11H11N2.C9H7N2.3Ir/c1-33-22-34(31-14-8-7-13-30(31)33)25-18-15-23(16-19-25)24-17-20-28-27-11-5-6-12-29(27)35(32(28)21-24)26-9-3-2-4-10-26;2*1-23-12-13-24(15-23)18-9-6-16(7-10-18)17-8-11-20-19-4-2-3-5-21(19)25-22(20)14-17;2*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-2-5-9(6-3-1)11-8-4-7-10-11;;;/h2-18,20-22H,1H3;2*2-9,11-15H,1H3;2*3-6,8H,1-2H3;1-5,7-8H;;;/q3*-2;3*-1;3*+3
InChIKeyXROMNTIPDFTNFC-UHFFFAOYSA-N
MW2176.66 g/mol
LogP25.46
Rot. Bonds10

About 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole

1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole (PubChem CID 158928036) has the molecular formula C107H84Ir3N13OS and a molecular weight of 2176.66 g/mol. Its IUPAC name is 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole.

Molecular Properties

Compound Name1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole
PubChem CID158928036
Molecular FormulaC107H84Ir3N13OS
Molecular Weight2176.66 g/mol
Exact Mass2177.55
IUPAC Name1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole
SMILESCN1C=CN(c2[c-]cc(-c3ccc4c(c3)oc3ccccc34)cc2)[CH-]1.CN1C=CN(c2[c-]cc(-c3ccc4c(c3)sc3ccccc34)cc2)[CH-]1.CN1[CH-]N(c2[c-]cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccccc21.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-n1cccn1
InChIInChI=1S/C32H23N3.C22H16N2O.C22H16N2S.2C11H11N2.C9H7N2.3Ir/c1-33-22-34(31-14-8-7-13-30(31)33)25-18-15-23(16-19-25)24-17-20-28-27-11-5-6-12-29(27)35(32(28)21-24)26-9-3-2-4-10-26;2*1-23-12-13-24(15-23)18-9-6-16(7-10-18)17-8-11-20-19-4-2-3-5-21(19)25-22(20)14-17;2*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-2-5-9(6-3-1)11-8-4-7-10-11;;;/h2-18,20-22H,1H3;2*2-9,11-15H,1H3;2*3-6,8H,1-2H3;1-5,7-8H;;;/q3*-2;3*-1;3*+3
InChIKeyXROMNTIPDFTNFC-UHFFFAOYSA-N
XLogP25.46
TPSA90.97 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002176.66
LogP ≤ 525.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole with MolForge

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Related Compounds

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(6Z)-6-[3-[3-(10,15-dithia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaen-23-yl)phenyl]-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-imine;11-(4-pyrido[1,2-b]indazol-10-ylphenyl)-[1]benzofuro[3,2-b]carbazole
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23-Pyrido[1,2-b]indazol-8-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
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23-(3-Pyrido[1,2-b]indazol-8-ylphenyl)-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
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23-Pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene
CID 154563176
9-[3-Carbazol-9-yl-5-[2-[3,5-di(carbazol-9-yl)phenyl]-[1]benzothiolo[3,2-b][1]benzofuran-7-yl]phenyl]carbazole
CID 156488764
3,9-Dimethyl-2-(1,2,5-trimethyl-1,2,4-triazol-2-ium-3-yl)carbazole;ethane;1,2,4,5,6,7,11-heptamethylphenanthro[9,10-d]triazol-1-ium;5-methyl-4-(1,2,5-trimethyl-1,2,4-triazol-2-ium-3-yl)pyrimidine;1,2,3-trimethyl-5-(2-methyldibenzofuran-3-yl)-1,2,4-triazol-1-ium;1,2,3-trimethyl-5-(2-methyldibenzothiophen-3-yl)-1,2,4-triazol-1-ium
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4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole
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1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide);iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole;2-phenyl-1,3-thiazole
CID 157218445

Frequently Asked Questions

What is the IUPAC name of 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole?
The IUPAC name of 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole (CID 158928036) is 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole.
What is the SMILES notation for 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole?
The canonical SMILES for 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole is CN1C=CN(c2[c-]cc(-c3ccc4c(c3)oc3ccccc34)cc2)[CH-]1.CN1C=CN(c2[c-]cc(-c3ccc4c(c3)sc3ccccc34)cc2)[CH-]1.CN1[CH-]N(c2[c-]cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccccc21.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-n1cccn1.
What is the InChIKey of 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole?
The InChIKey is XROMNTIPDFTNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3.C22H16N2O.C22H16N2S.2C11H11N2.C9H7N2.3Ir/c1-33-22-34(31-14-8-7-13-30(31)33)25-18-15-23(16-19-25)24-17-20-28-27-11-5-6-12-29(27)35(32(28)21-24)26-9-3-2-4-10-26;2*1-23-12-13-24(15-23)18-9-6-16(7-10-18)17-8-11-20-19-4-2-3-5-21(19)25-22(20)14-17;2*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-2-5-9(6-3-1)11-8-4-7-10-11;;;/h2-18,20-22H,1H3;2*2-9,11-15H,1H3;2*3-6,8H,1-2H3;1-5,7-8H;;;/q3*-2;3*-1;3*+3.
What are the key properties of 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole?
1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole has a molecular weight of 2176.66 g/mol, XLogP of 25.46, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-9-phenylcarbazole;1-phenylpyrazole is sourced from PubChem (CID 158928036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).