9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole

C140H113Ir4N17-4 — CID 157432210

IUPAC9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole
SMILESCN1[CH-]N(c2[c-]cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c2ccccc21.CN1[CH-]N(c2[c-]cc(-c3ccc4c5ccccc5n(C(C)(C)C)c4c3)cc2)c2ccccc21.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cn1ccnc1-c1[c-]cccc1.[Ir+3].[Ir+3].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-n1cccn1.[c-]1cc(-c2ccccc2)ccc1-n1cccn1.[c-]1ccccc1-n1cccn1
InChIInChI=1S/C39H26N2.C30H27N3.2C15H11N2.2C11H11N2.C10H9N2.C9H7N2.4Ir/c1-40-25-41(38-17-9-8-16-37(38)40)28-21-18-26(19-22-28)27-20-23-32-31-12-4-7-15-35(31)39(36(32)24-27)33-13-5-2-10-29(33)30-11-3-6-14-34(30)39;1-30(2,3)33-26-10-6-5-9-24(26)25-18-15-22(19-29(25)33)21-13-16-23(17-14-21)32-20-31(4)27-11-7-8-12-28(27)32;2*1-2-5-13(6-3-1)14-7-9-15(10-8-14)17-12-4-11-16-17;2*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;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;;;;/h2-21,23-25H,1H3;5-16,18-20H,1-4H3;2*1-9,11-12H;2*3-6,8H,1-2H3;2-5,7-8H,1H3;1-5,7-8H;;;;/q2*-2;6*-1;;;2*+3
InChIKeyDRHJBPSABSTKIE-UHFFFAOYSA-N
MW2802.43 g/mol
LogP31.74
Rot. Bonds12

About 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole

9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole (PubChem CID 157432210) has the molecular formula C140H113Ir4N17-4 and a molecular weight of 2802.43 g/mol. Its IUPAC name is 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole.

Molecular Properties

Compound Name9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole
PubChem CID157432210
Molecular FormulaC140H113Ir4N17-4
Molecular Weight2802.43 g/mol
Exact Mass2803.79
IUPAC Name9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole
SMILESCN1[CH-]N(c2[c-]cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c2ccccc21.CN1[CH-]N(c2[c-]cc(-c3ccc4c5ccccc5n(C(C)(C)C)c4c3)cc2)c2ccccc21.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cn1ccnc1-c1[c-]cccc1.[Ir+3].[Ir+3].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-n1cccn1.[c-]1cc(-c2ccccc2)ccc1-n1cccn1.[c-]1ccccc1-n1cccn1
InChIInChI=1S/C39H26N2.C30H27N3.2C15H11N2.2C11H11N2.C10H9N2.C9H7N2.4Ir/c1-40-25-41(38-17-9-8-16-37(38)40)28-21-18-26(19-22-28)27-20-23-32-31-12-4-7-15-35(31)39(36(32)24-27)33-13-5-2-10-29(33)30-11-3-6-14-34(30)39;1-30(2,3)33-26-10-6-5-9-24(26)25-18-15-22(19-29(25)33)21-13-16-23(17-14-21)32-20-31(4)27-11-7-8-12-28(27)32;2*1-2-5-13(6-3-1)14-7-9-15(10-8-14)17-12-4-11-16-17;2*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;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;;;;/h2-21,23-25H,1H3;5-16,18-20H,1-4H3;2*1-9,11-12H;2*3-6,8H,1-2H3;2-5,7-8H,1H3;1-5,7-8H;;;;/q2*-2;6*-1;;;2*+3
InChIKeyDRHJBPSABSTKIE-UHFFFAOYSA-N
XLogP31.74
TPSA124.81 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002802.43
LogP ≤ 531.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole?
The IUPAC name of 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole (CID 157432210) is 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole.
What is the SMILES notation for 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole?
The canonical SMILES for 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole is CN1[CH-]N(c2[c-]cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c2ccccc21.CN1[CH-]N(c2[c-]cc(-c3ccc4c5ccccc5n(C(C)(C)C)c4c3)cc2)c2ccccc21.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cn1ccnc1-c1[c-]cccc1.[Ir+3].[Ir+3].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-n1cccn1.[c-]1cc(-c2ccccc2)ccc1-n1cccn1.[c-]1ccccc1-n1cccn1.
What is the InChIKey of 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole?
The InChIKey is DRHJBPSABSTKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2.C30H27N3.2C15H11N2.2C11H11N2.C10H9N2.C9H7N2.4Ir/c1-40-25-41(38-17-9-8-16-37(38)40)28-21-18-26(19-22-28)27-20-23-32-31-12-4-7-15-35(31)39(36(32)24-27)33-13-5-2-10-29(33)30-11-3-6-14-34(30)39;1-30(2,3)33-26-10-6-5-9-24(26)25-18-15-22(19-29(25)33)21-13-16-23(17-14-21)32-20-31(4)27-11-7-8-12-28(27)32;2*1-2-5-13(6-3-1)14-7-9-15(10-8-14)17-12-4-11-16-17;2*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;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;;;;/h2-21,23-25H,1H3;5-16,18-20H,1-4H3;2*1-9,11-12H;2*3-6,8H,1-2H3;2-5,7-8H,1H3;1-5,7-8H;;;;/q2*-2;6*-1;;;2*+3.
What are the key properties of 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole?
9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole has a molecular weight of 2802.43 g/mol, XLogP of 31.74, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole is sourced from PubChem (CID 157432210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).