1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole

C104H82Ir10N22OS-10 — CID 161225380

IUPAC1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole
SMILESCC1(C)c2ccccc2-c2c[c-]c(-n3cccn3)cc21.Cn1ccnc1-c1[c-]ccc(-c2ccccc2)c1.Cn1ccnc1-c1[c-]cccc1.Cn1cnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1ccnn1.[c-]1ccccc1-n1cnnn1.[c-]1ccccc1-n1nccn1
InChIInChI=1S/C18H15N2.C16H13N2.2C10H9N2.C9H7N2.C9H6NO.C9H6NS.2C8H6N3.C7H5N4.10Ir/c1-18(2)16-7-4-3-6-14(16)15-9-8-13(12-17(15)18)20-11-5-10-19-20;1-18-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-2-4-8(5-3-1)9-10-6-7-11-9;1-2-4-8(5-3-1)11-7-6-9-10-11;1-2-4-8(5-3-1)11-9-6-7-10-11;1-2-4-7(5-3-1)11-6-8-9-10-11;;;;;;;;;;/h3-7,9-12H,1-2H3;2-8,10-12H,1H3;2*2-5,7-8H,1H3;1-5,7-8H;4*1-4,6-7H;1-4,6H;;;;;;;;;;/q10*-1;;;;;;;;;;
InChIKeyORLHKYJIHBRAGG-UHFFFAOYSA-N
MW3610.19 g/mol
LogP20.30
Rot. Bonds11

About 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole

1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole (PubChem CID 161225380) has the molecular formula C104H82Ir10N22OS-10 and a molecular weight of 3610.19 g/mol. Its IUPAC name is 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole.

Molecular Properties

Compound Name1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole
PubChem CID161225380
Molecular FormulaC104H82Ir10N22OS-10
Molecular Weight3610.19 g/mol
Exact Mass3616.31
IUPAC Name1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole
SMILESCC1(C)c2ccccc2-c2c[c-]c(-n3cccn3)cc21.Cn1ccnc1-c1[c-]ccc(-c2ccccc2)c1.Cn1ccnc1-c1[c-]cccc1.Cn1cnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1ccnn1.[c-]1ccccc1-n1cnnn1.[c-]1ccccc1-n1nccn1
InChIInChI=1S/C18H15N2.C16H13N2.2C10H9N2.C9H7N2.C9H6NO.C9H6NS.2C8H6N3.C7H5N4.10Ir/c1-18(2)16-7-4-3-6-14(16)15-9-8-13(12-17(15)18)20-11-5-10-19-20;1-18-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-2-4-8(5-3-1)9-10-6-7-11-9;1-2-4-8(5-3-1)11-7-6-9-10-11;1-2-4-8(5-3-1)11-9-6-7-10-11;1-2-4-7(5-3-1)11-6-8-9-10-11;;;;;;;;;;/h3-7,9-12H,1-2H3;2-8,10-12H,1H3;2*2-5,7-8H,1H3;1-5,7-8H;4*1-4,6-7H;1-4,6H;;;;;;;;;;/q10*-1;;;;;;;;;;
InChIKeyORLHKYJIHBRAGG-UHFFFAOYSA-N
XLogP20.30
TPSA233.04 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds11
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003610.19
LogP ≤ 520.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole with MolForge

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Related Compounds

2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-oxazole;bis(1-phenylpyrazole);1-phenyltriazole;platinum;2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1,4,5-trimethyl-2-phenylimidazole
CID 161788827
Bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(iridium(3+));2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole
CID 157411524
4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide
CID 157451443
11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(4-phenylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide
CID 157556205
Bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)
CID 157707700
3,5-Dimethyl-1-phenylpyrazole;3-methyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;1-methyl-2-phenylimidazole;3-methyl-5-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]pyrazol-1-ide;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenylpyrazol-2-ide;platinum;bis(platinum(4+))
CID 157712909
11-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-[11-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;bis(11-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-(1-methylimidazol-2-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide);11-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyrazol-1-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum
CID 158000607
1-(4-methylbenzene-6-id-1-yl)pyrazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(5-phenyl-3H-thiophen-3-id-4-yl)imidazole;2-phenyl-1,3-oxazole;4-phenyl-1-phenylpyrazole;tris(1-phenylpyrazole);2-phenyl-1,3-thiazole;1-phenyl-1,2,4-triazole;pentakis(platinum(2+))
CID 158112461
1-(2,6-dimethylphenyl)-5-[4-(2,6-dimethylphenyl)imidazol-1-id-2-yl]-1,2,4-triazole;4-(2,6-dimethylphenyl)-2-[1-(2,6-dimethylphenyl)imidazol-2-yl]imidazol-1-ide;1-(2,6-dimethylphenyl)-2-[4-(2,6-dimethylphenyl)-2H-pyrrol-2-id-1-yl]imidazole;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-[4-(2,6-dimethylphenyl)imidazol-1-id-2-yl]-1,3-thiazole;2-[3-(2,6-dimethylphenyl)-5H-pyrazol-5-id-1-yl]-1,3-thiazole;1-(2,6-dimethylphenyl)-2-(3H-thiophen-3-id-4-yl)imidazole;1-(2,6-dimethylphenyl)-2-(2H-thiophen-2-id-3-yl)-2H-imidazol-1-ium;heptakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;rhodium;2-[1-(2,4,6-trimethylphenyl)-4H-imidazol-4-id-5-yl]-1,3-oxazole
CID 158238141
Tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole
CID 158462212
3,5-Dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;tetrakis(rhodium(2+))
CID 158687557
1-Methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;3-phenyl-5-(4-phenylphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);5-phenyl-3-(4-phenylphenyl)pyrazol-1-ide;bis(platinum(4+))
CID 158700182

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole?
The IUPAC name of 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole (CID 161225380) is 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole.
What is the SMILES notation for 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole?
The canonical SMILES for 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole is CC1(C)c2ccccc2-c2c[c-]c(-n3cccn3)cc21.Cn1ccnc1-c1[c-]ccc(-c2ccccc2)c1.Cn1ccnc1-c1[c-]cccc1.Cn1cnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1ccnn1.[c-]1ccccc1-n1cnnn1.[c-]1ccccc1-n1nccn1.
What is the InChIKey of 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole?
The InChIKey is ORLHKYJIHBRAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2.C16H13N2.2C10H9N2.C9H7N2.C9H6NO.C9H6NS.2C8H6N3.C7H5N4.10Ir/c1-18(2)16-7-4-3-6-14(16)15-9-8-13(12-17(15)18)20-11-5-10-19-20;1-18-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-2-4-8(5-3-1)9-10-6-7-11-9;1-2-4-8(5-3-1)11-7-6-9-10-11;1-2-4-8(5-3-1)11-9-6-7-10-11;1-2-4-7(5-3-1)11-6-8-9-10-11;;;;;;;;;;/h3-7,9-12H,1-2H3;2-8,10-12H,1H3;2*2-5,7-8H,1H3;1-5,7-8H;4*1-4,6-7H;1-4,6H;;;;;;;;;;/q10*-1;;;;;;;;;;.
What are the key properties of 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole?
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole has a molecular weight of 3610.19 g/mol, XLogP of 20.30, 11 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole is sourced from PubChem (CID 161225380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).