3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;tris(gold(3+));2-(1-methyl-2H-indol-2-id-3-yl)-4-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyrrolo[2,3-d][1,3]oxazole;2-phenyl-9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide

C81H54Au3N10O3+ — CID 160995265

About 3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;tris(gold(3+));2-(1-methyl-2H-indol-2-id-3-yl)-4-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyrrolo[2,3-d][1,3]oxazole;2-phenyl-9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide

3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;tris(gold(3+));2-(1-methyl-2H-indol-2-id-3-yl)-4-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyrrolo[2,3-d][1,3]oxazole;2-phenyl-9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide (PubChem CID 160995265) has the molecular formula C81H54Au3N10O3+ and a molecular weight of 1806.29 g/mol. Its IUPAC name is 3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;tris(gold(3+));2-(1-methyl-2H-indol-2-id-3-yl)-4-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyrrolo[2,3-d][1,3]oxazole;2-phenyl-9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: 3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;tris(gold(3+));2-(1-methyl-2H-indol-2-id-3-yl)-4-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyrrolo[2,3-d][1,3]oxazole;2-phenyl-9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide
• PubChem CID: 160995265
• Molecular Formula: C81H54Au3N10O3+
• Molecular Weight: 1806.29 g/mol
• Exact Mass: 1805.34
• IUPAC Name: 3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;tris(gold(3+));2-(1-methyl-2H-indol-2-id-3-yl)-4-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyrrolo[2,3-d][1,3]oxazole;2-phenyl-9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide
• SMILES: Cn1[c-]c(-c2nc3c(ccn3-c3[c-]c(-n4[c-]ccc4)ccc3)o2)c2ccccc21.Cn1cc(-c2[c-]c(N(CN=Cc3coc4oc[c-]c34)c3ccccc3)ccc2)c2[cH-]c[n+](C)c21.[Au+3].[Au+3].[Au+3].[c-]1ccccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1cccc(-c2[c-]cccc2)n1
• InChI: InChI=1S/C29H17N2.C28H22N4O2.C24H15N4O.3Au/c1-3-10-21(11-4-1)23-18-19-25-24-14-7-8-16-27(24)31(28(25)20-23)29-17-9-15-26(30-29)22-12-5-2-6-13-22;1-30-13-11-25-26(17-31(2)27(25)30)20-7-6-10-23(15-20)32(22-8-4-3-5-9-22)19-29-16-21-18-34-28-24(21)12-14-33-28;1-26-16-20(19-9-2-3-10-21(19)26)24-25-23-22(29-24)11-14-28(23)18-8-6-7-17(15-18)27-12-4-5-13-27;;;/h1-10,12,14-19H;3-11,13-14,16-18H,19H2,1-2H3;2-12,14H,1H3;;;/q-3;-2;-3;3*+3
• InChIKey: IIJMRFMDSMJAOI-UHFFFAOYSA-N
• XLogP: 17.42
• TPSA: 109.33 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1806.29
LogP ≤ 5	17.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;tris(gold(3+));2-(1-methyl-2H-indol-2-id-3-yl)-4-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyrrolo[2,3-d][1,3]oxazole;2-phenyl-9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide?

The IUPAC name of 3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;tris(gold(3+));2-(1-methyl-2H-indol-2-id-3-yl)-4-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyrrolo[2,3-d][1,3]oxazole;2-phenyl-9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide (CID 160995265) is 3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;tris(gold(3+));2-(1-methyl-2H-indol-2-id-3-yl)-4-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyrrolo[2,3-d][1,3]oxazole;2-phenyl-9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide.

What is the SMILES notation for 3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;tris(gold(3+));2-(1-methyl-2H-indol-2-id-3-yl)-4-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyrrolo[2,3-d][1,3]oxazole;2-phenyl-9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide?

The canonical SMILES for 3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;tris(gold(3+));2-(1-methyl-2H-indol-2-id-3-yl)-4-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyrrolo[2,3-d][1,3]oxazole;2-phenyl-9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide is Cn1[c-]c(-c2nc3c(ccn3-c3[c-]c(-n4[c-]ccc4)ccc3)o2)c2ccccc21.Cn1cc(-c2[c-]c(N(CN=Cc3coc4oc[c-]c34)c3ccccc3)ccc2)c2[cH-]c[n+](C)c21.[Au+3].[Au+3].[Au+3].[c-]1ccccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1cccc(-c2[c-]cccc2)n1.

What is the InChIKey of 3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;tris(gold(3+));2-(1-methyl-2H-indol-2-id-3-yl)-4-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyrrolo[2,3-d][1,3]oxazole;2-phenyl-9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide?

The InChIKey is IIJMRFMDSMJAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17N2.C28H22N4O2.C24H15N4O.3Au/c1-3-10-21(11-4-1)23-18-19-25-24-14-7-8-16-27(24)31(28(25)20-23)29-17-9-15-26(30-29)22-12-5-2-6-13-22;1-30-13-11-25-26(17-31(2)27(25)30)20-7-6-10-23(15-20)32(22-8-4-3-5-9-22)19-29-16-21-18-34-28-24(21)12-14-33-28;1-26-16-20(19-9-2-3-10-21(19)26)24-25-23-22(29-24)11-14-28(23)18-8-6-7-17(15-18)27-12-4-5-13-27;;;/h1-10,12,14-19H;3-11,13-14,16-18H,19H2,1-2H3;2-12,14H,1H3;;;/q-3;-2;-3;3*+3.

What are the key properties of 3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;tris(gold(3+));2-(1-methyl-2H-indol-2-id-3-yl)-4-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyrrolo[2,3-d][1,3]oxazole;2-phenyl-9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide?

3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;tris(gold(3+));2-(1-methyl-2H-indol-2-id-3-yl)-4-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyrrolo[2,3-d][1,3]oxazole;2-phenyl-9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide has a molecular weight of 1806.29 g/mol, XLogP of 17.42, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;tris(gold(3+));2-(1-methyl-2H-indol-2-id-3-yl)-4-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyrrolo[2,3-d][1,3]oxazole;2-phenyl-9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide is sourced from PubChem (CID 160995265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).