2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide

C112H92Ir3N26O5Pt2S-6 — CID 160611215

IUPAC2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide
SMILESCn1c(-c2ccccc2)cnc1-c1[c-]coc1.Cn1c[c-]c(-c2ncc(-c3ccccc3)o2)c1.Cn1c[c-]c(-c2nccs2)c1-c1ccccc1.Cn1cc[c-]c1-n1cccn1.Cn1ccnc1-c1[c-]cn(C)c1-c1ccccc1.Cn1cnc(-c2cc(-c3ccccc3)c[n-]2)c1.Cn1n[c-]c(-n2cccn2)c1-c1ccccc1.[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[c-]1ccoc1-n1cccn1.[c-]1ncoc1-n1cccn1.[c-]1occc1-n1cccn1
InChIInChI=1S/C15H14N3.C14H12N3.2C14H11N2O.C14H11N2S.C13H11N4.C8H8N3.2C7H5N2O.C6H4N3O.3Ir.2Pt/c1-17-10-8-13(15-16-9-11-18(15)2)14(17)12-6-4-3-5-7-12;1-17-9-14(16-10-17)13-7-12(8-15-13)11-5-3-2-4-6-11;1-16-13(11-5-3-2-4-6-11)9-15-14(16)12-7-8-17-10-12;1-16-8-7-12(10-16)14-15-9-13(17-14)11-5-3-2-4-6-11;1-16-9-7-12(14-15-8-10-17-14)13(16)11-5-3-2-4-6-11;1-16-13(11-6-3-2-4-7-11)12(10-15-16)17-9-5-8-14-17;1-10-6-2-4-8(10)11-7-3-5-9-11;1-3-7(10-6-1)9-5-2-4-8-9;1-3-8-9(4-1)7-2-5-10-6-7;1-2-8-9(3-1)6-4-7-5-10-6;;;;;/h3-7,9-11H,1-2H3;2-10H,1H3;3*2-6,8-10H,1H3;2-9H,1H3;2-3,5-7H,1H3;1-2,4-6H;1-5H;1-3,5H;;;;;/q10*-1;;;;2*+2
InChIKeyFJFYWBQLKNRLJG-UHFFFAOYSA-N
MW2881.02 g/mol
LogP21.78
Rot. Bonds16

About 2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide

2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide (PubChem CID 160611215) has the molecular formula C112H92Ir3N26O5Pt2S-6 and a molecular weight of 2881.02 g/mol. Its IUPAC name is 2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide.

Molecular Properties

Compound Name2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide
PubChem CID160611215
Molecular FormulaC112H92Ir3N26O5Pt2S-6
Molecular Weight2881.02 g/mol
Exact Mass2881.57
IUPAC Name2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide
SMILESCn1c(-c2ccccc2)cnc1-c1[c-]coc1.Cn1c[c-]c(-c2ncc(-c3ccccc3)o2)c1.Cn1c[c-]c(-c2nccs2)c1-c1ccccc1.Cn1cc[c-]c1-n1cccn1.Cn1ccnc1-c1[c-]cn(C)c1-c1ccccc1.Cn1cnc(-c2cc(-c3ccccc3)c[n-]2)c1.Cn1n[c-]c(-n2cccn2)c1-c1ccccc1.[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[c-]1ccoc1-n1cccn1.[c-]1ncoc1-n1cccn1.[c-]1occc1-n1cccn1
InChIInChI=1S/C15H14N3.C14H12N3.2C14H11N2O.C14H11N2S.C13H11N4.C8H8N3.2C7H5N2O.C6H4N3O.3Ir.2Pt/c1-17-10-8-13(15-16-9-11-18(15)2)14(17)12-6-4-3-5-7-12;1-17-9-14(16-10-17)13-7-12(8-15-13)11-5-3-2-4-6-11;1-16-13(11-5-3-2-4-6-11)9-15-14(16)12-7-8-17-10-12;1-16-8-7-12(10-16)14-15-9-13(17-14)11-5-3-2-4-6-11;1-16-9-7-12(14-15-8-10-17-14)13(16)11-5-3-2-4-6-11;1-16-13(11-6-3-2-4-7-11)12(10-15-16)17-9-5-8-14-17;1-10-6-2-4-8(10)11-7-3-5-9-11;1-3-7(10-6-1)9-5-2-4-8-9;1-3-8-9(4-1)7-2-5-10-6-7;1-2-8-9(3-1)6-4-7-5-10-6;;;;;/h3-7,9-11H,1-2H3;2-10H,1H3;3*2-6,8-10H,1H3;2-9H,1H3;2-3,5-7H,1H3;1-2,4-6H;1-5H;1-3,5H;;;;;/q10*-1;;;;2*+2
InChIKeyFJFYWBQLKNRLJG-UHFFFAOYSA-N
XLogP21.78
TPSA298.57 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds16
Heavy Atoms149
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002881.02
LogP ≤ 521.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide?
The IUPAC name of 2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide (CID 160611215) is 2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide.
What is the SMILES notation for 2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide?
The canonical SMILES for 2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide is Cn1c(-c2ccccc2)cnc1-c1[c-]coc1.Cn1c[c-]c(-c2ncc(-c3ccccc3)o2)c1.Cn1c[c-]c(-c2nccs2)c1-c1ccccc1.Cn1cc[c-]c1-n1cccn1.Cn1ccnc1-c1[c-]cn(C)c1-c1ccccc1.Cn1cnc(-c2cc(-c3ccccc3)c[n-]2)c1.Cn1n[c-]c(-n2cccn2)c1-c1ccccc1.[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[c-]1ccoc1-n1cccn1.[c-]1ncoc1-n1cccn1.[c-]1occc1-n1cccn1.
What is the InChIKey of 2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide?
The InChIKey is FJFYWBQLKNRLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N3.C14H12N3.2C14H11N2O.C14H11N2S.C13H11N4.C8H8N3.2C7H5N2O.C6H4N3O.3Ir.2Pt/c1-17-10-8-13(15-16-9-11-18(15)2)14(17)12-6-4-3-5-7-12;1-17-9-14(16-10-17)13-7-12(8-15-13)11-5-3-2-4-6-11;1-16-13(11-5-3-2-4-6-11)9-15-14(16)12-7-8-17-10-12;1-16-8-7-12(10-16)14-15-9-13(17-14)11-5-3-2-4-6-11;1-16-9-7-12(14-15-8-10-17-14)13(16)11-5-3-2-4-6-11;1-16-13(11-6-3-2-4-7-11)12(10-15-16)17-9-5-8-14-17;1-10-6-2-4-8(10)11-7-3-5-9-11;1-3-7(10-6-1)9-5-2-4-8-9;1-3-8-9(4-1)7-2-5-10-6-7;1-2-8-9(3-1)6-4-7-5-10-6;;;;;/h3-7,9-11H,1-2H3;2-10H,1H3;3*2-6,8-10H,1H3;2-9H,1H3;2-3,5-7H,1H3;1-2,4-6H;1-5H;1-3,5H;;;;;/q10*-1;;;;2*+2.
What are the key properties of 2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide?
2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide has a molecular weight of 2881.02 g/mol, XLogP of 21.78, 16 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide is sourced from PubChem (CID 160611215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).