1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide

C188H150Ir14N6OS-14 — CID 157333284

IUPAC1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide
SMILESCC1=[C-]c2cccc3cccc1c23.Cc1[c-]c2c3ccccc3ccc2c2ccccc12.Cc1[c-]c2ccccc2n1C.Cc1[c-]cc(-c2ccc(-c3ccccc3)cc2)cc1.Cc1[c-]cc(-c2ccccc2)cc1.Cc1[c-]cc(-c2ccccc2)cc1-c1ccccc1.Cc1[c-]cc2c(c1)Cc1ccccc1-2.Cc1[c-]cc2c(c1)[nH]c1ccccc12.Cc1[c-]cc2c(c1)oc1ccccc12.Cc1[c-]cc2c(c1)sc1ccccc12.Cc1[c-]cc2c3ccccc3n(C)c2c1.Cc1[c-]ccc2c3ccccc3n(C)c12.Cc1cc2ccccc2[n-]1.Cc1ccc[n-]1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C19H13.2C19H15.2C14H12N.C14H11.C13H10N.C13H9O.C13H9S.C13H9.C13H11.C10H10N.C9H8N.C5H6N.14Ir/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17;1-15-12-13-18(16-8-4-2-5-9-16)14-19(15)17-10-6-3-7-11-17;1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;1-10-6-5-8-12-11-7-3-4-9-13(11)15(2)14(10)12;1-10-7-8-12-11-5-3-4-6-13(11)15(2)14(12)9-10;1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;3*1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-9-8-11-6-2-4-10-5-3-7-12(9)13(10)11;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-8-7-9-5-3-4-6-10(9)11(8)2;1-7-6-8-4-2-3-5-9(8)10-7;1-5-3-2-4-6-5;;;;;;;;;;;;;;/h2-11H,1H3;2-11,13-14H,1H3;2-7,9-14H,1H3;3-5,7-9H,1-2H3;3-6,8-9H,1-2H3;2-5,7-8H,9H2,1H3;2-5,7-8,14H,1H3;2*2-5,7-8H,1H3;2-7H,1H3;2-7,9-10H,1H3;3-6H,1-2H3;2-6H,1H3;2-4H,1H3;;;;;;;;;;;;;;/q14*-1;;;;;;;;;;;;;;
InChIKeyLMTZQBYRYMFTJF-UHFFFAOYSA-N
MW5232.41 g/mol
LogP49.23
Rot. Bonds5

About 1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide

1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide (PubChem CID 157333284) has the molecular formula C188H150Ir14N6OS-14 and a molecular weight of 5232.41 g/mol. Its IUPAC name is 1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide.

Molecular Properties

Compound Name1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide
PubChem CID157333284
Molecular FormulaC188H150Ir14N6OS-14
Molecular Weight5232.41 g/mol
Exact Mass5240.65
IUPAC Name1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide
SMILESCC1=[C-]c2cccc3cccc1c23.Cc1[c-]c2c3ccccc3ccc2c2ccccc12.Cc1[c-]c2ccccc2n1C.Cc1[c-]cc(-c2ccc(-c3ccccc3)cc2)cc1.Cc1[c-]cc(-c2ccccc2)cc1.Cc1[c-]cc(-c2ccccc2)cc1-c1ccccc1.Cc1[c-]cc2c(c1)Cc1ccccc1-2.Cc1[c-]cc2c(c1)[nH]c1ccccc12.Cc1[c-]cc2c(c1)oc1ccccc12.Cc1[c-]cc2c(c1)sc1ccccc12.Cc1[c-]cc2c3ccccc3n(C)c2c1.Cc1[c-]ccc2c3ccccc3n(C)c12.Cc1cc2ccccc2[n-]1.Cc1ccc[n-]1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C19H13.2C19H15.2C14H12N.C14H11.C13H10N.C13H9O.C13H9S.C13H9.C13H11.C10H10N.C9H8N.C5H6N.14Ir/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17;1-15-12-13-18(16-8-4-2-5-9-16)14-19(15)17-10-6-3-7-11-17;1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;1-10-6-5-8-12-11-7-3-4-9-13(11)15(2)14(10)12;1-10-7-8-12-11-5-3-4-6-13(11)15(2)14(12)9-10;1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;3*1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-9-8-11-6-2-4-10-5-3-7-12(9)13(10)11;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-8-7-9-5-3-4-6-10(9)11(8)2;1-7-6-8-4-2-3-5-9(8)10-7;1-5-3-2-4-6-5;;;;;;;;;;;;;;/h2-11H,1H3;2-11,13-14H,1H3;2-7,9-14H,1H3;3-5,7-9H,1-2H3;3-6,8-9H,1-2H3;2-5,7-8H,9H2,1H3;2-5,7-8,14H,1H3;2*2-5,7-8H,1H3;2-7H,1H3;2-7,9-10H,1H3;3-6H,1-2H3;2-6H,1H3;2-4H,1H3;;;;;;;;;;;;;;/q14*-1;;;;;;;;;;;;;;
InChIKeyLMTZQBYRYMFTJF-UHFFFAOYSA-N
XLogP49.23
TPSA71.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms210
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005232.41
LogP ≤ 549.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide?
The IUPAC name of 1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide (CID 157333284) is 1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide.
What is the SMILES notation for 1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide?
The canonical SMILES for 1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide is CC1=[C-]c2cccc3cccc1c23.Cc1[c-]c2c3ccccc3ccc2c2ccccc12.Cc1[c-]c2ccccc2n1C.Cc1[c-]cc(-c2ccc(-c3ccccc3)cc2)cc1.Cc1[c-]cc(-c2ccccc2)cc1.Cc1[c-]cc(-c2ccccc2)cc1-c1ccccc1.Cc1[c-]cc2c(c1)Cc1ccccc1-2.Cc1[c-]cc2c(c1)[nH]c1ccccc12.Cc1[c-]cc2c(c1)oc1ccccc12.Cc1[c-]cc2c(c1)sc1ccccc12.Cc1[c-]cc2c3ccccc3n(C)c2c1.Cc1[c-]ccc2c3ccccc3n(C)c12.Cc1cc2ccccc2[n-]1.Cc1ccc[n-]1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide?
The InChIKey is LMTZQBYRYMFTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13.2C19H15.2C14H12N.C14H11.C13H10N.C13H9O.C13H9S.C13H9.C13H11.C10H10N.C9H8N.C5H6N.14Ir/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17;1-15-12-13-18(16-8-4-2-5-9-16)14-19(15)17-10-6-3-7-11-17;1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;1-10-6-5-8-12-11-7-3-4-9-13(11)15(2)14(10)12;1-10-7-8-12-11-5-3-4-6-13(11)15(2)14(12)9-10;1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;3*1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-9-8-11-6-2-4-10-5-3-7-12(9)13(10)11;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-8-7-9-5-3-4-6-10(9)11(8)2;1-7-6-8-4-2-3-5-9(8)10-7;1-5-3-2-4-6-5;;;;;;;;;;;;;;/h2-11H,1H3;2-11,13-14H,1H3;2-7,9-14H,1H3;3-5,7-9H,1-2H3;3-6,8-9H,1-2H3;2-5,7-8H,9H2,1H3;2-5,7-8,14H,1H3;2*2-5,7-8H,1H3;2-7H,1H3;2-7,9-10H,1H3;3-6H,1-2H3;2-6H,1H3;2-4H,1H3;;;;;;;;;;;;;;/q14*-1;;;;;;;;;;;;;;.
What are the key properties of 1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide?
1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide has a molecular weight of 5232.41 g/mol, XLogP of 49.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide is sourced from PubChem (CID 157333284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).