3-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(3,4-dimethylimidazo[4,5-d]imidazole-3,4-diium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylbenzene-2-id-1-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;platinum;tris(platinum(2+));4-(3-pyrazol-1-ylbenzene-2-id-1-yl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide

C140H102N21O6PPt5S-2 — CID 157113082

About 3-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(3,4-dimethylimidazo[4,5-d]imidazole-3,4-diium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylbenzene-2-id-1-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;platinum;tris(platinum(2+));4-(3-pyrazol-1-ylbenzene-2-id-1-yl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide

3-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(3,4-dimethylimidazo[4,5-d]imidazole-3,4-diium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylbenzene-2-id-1-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;platinum;tris(platinum(2+));4-(3-pyrazol-1-ylbenzene-2-id-1-yl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide (PubChem CID 157113082) has the molecular formula C140H102N21O6PPt5S-2 and a molecular weight of 3212.93 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(3,4-dimethylimidazo[4,5-d]imidazole-3,4-diium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylbenzene-2-id-1-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;platinum;tris(platinum(2+));4-(3-pyrazol-1-ylbenzene-2-id-1-yl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: 3-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(3,4-dimethylimidazo[4,5-d]imidazole-3,4-diium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylbenzene-2-id-1-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;platinum;tris(platinum(2+));4-(3-pyrazol-1-ylbenzene-2-id-1-yl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide
• PubChem CID: 157113082
• Molecular Formula: C140H102N21O6PPt5S-2
• Molecular Weight: 3212.93 g/mol
• Exact Mass: 3210.60
• IUPAC Name: 3-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(3,4-dimethylimidazo[4,5-d]imidazole-3,4-diium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylbenzene-2-id-1-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;platinum;tris(platinum(2+));4-(3-pyrazol-1-ylbenzene-2-id-1-yl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide
• SMILES: CCN(O[PH+](c1ccccc1)c1ccccc1)c1[c-]c2c(o1)C(C)C(C)N2c1[c-]c(-c2cccc3c2[n-]c[n+]3C)ccc1.C[n+]1c[n-]c2c1[n+](C)cn2-c1[c-]c(N(C/[C-]=C/c2coc3ocnc23)c2ccccc2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[c-]1c(-c2cccc3ocnc23)cccc1N(c1[c-]c(-n2ccc3cccnc32)ccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3ccccn3)ccc2c2ccccc21.[c-]1c(-n2cccn2)cccc1-n1ccc2oc(-c3cscn3)[c-]c21
• InChI: InChI=1S/C36H33N4O2P.C32H20N4O.C28H17N3.C26H21N6O2.C18H10N4OS.5Pt/c1-5-39(42-43(29-16-8-6-9-17-29)30-18-10-7-11-19-30)34-23-33-36(41-34)25(2)26(3)40(33)28-15-12-14-27(22-28)31-20-13-21-32-35(31)37-24-38(32)4;1-2-10-25(11-3-1)36(27-13-4-8-24(20-27)29-15-6-16-30-31(29)34-22-37-30)28-14-5-12-26(21-28)35-19-17-23-9-7-18-33-32(23)35;1-2-13-27-23(10-1)24-15-14-21(26-12-4-6-17-30-26)19-28(24)31(27)22-9-7-8-20(18-22)25-11-3-5-16-29-25;1-29-16-27-24-25(29)30(2)18-32(24)22-12-6-11-21(14-22)31(20-9-4-3-5-10-20)13-7-8-19-15-33-26-23(19)28-17-34-26;1-3-13(9-14(4-1)22-7-2-6-20-22)21-8-5-17-16(21)10-18(23-17)15-11-24-12-19-15;;;;;/h6-21,24-26H,5H2,1-4H3;1-19,22H;1-17H;3-6,8-12,15-18H,13H2,1-2H3;1-8,11-12H;;;;;/q3*-2;-1;-2;;;3*+2/p+1
• InChIKey: WEXZPIMHISYWAR-UHFFFAOYSA-O
• XLogP: 28.62
• TPSA: 242.61 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3212.93
LogP ≤ 5	28.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(3,4-dimethylimidazo[4,5-d]imidazole-3,4-diium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylbenzene-2-id-1-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;platinum;tris(platinum(2+));4-(3-pyrazol-1-ylbenzene-2-id-1-yl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide?

The IUPAC name of 3-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(3,4-dimethylimidazo[4,5-d]imidazole-3,4-diium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylbenzene-2-id-1-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;platinum;tris(platinum(2+));4-(3-pyrazol-1-ylbenzene-2-id-1-yl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide (CID 157113082) is 3-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(3,4-dimethylimidazo[4,5-d]imidazole-3,4-diium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylbenzene-2-id-1-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;platinum;tris(platinum(2+));4-(3-pyrazol-1-ylbenzene-2-id-1-yl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide.

What is the SMILES notation for 3-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(3,4-dimethylimidazo[4,5-d]imidazole-3,4-diium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylbenzene-2-id-1-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;platinum;tris(platinum(2+));4-(3-pyrazol-1-ylbenzene-2-id-1-yl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide?

The canonical SMILES for 3-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(3,4-dimethylimidazo[4,5-d]imidazole-3,4-diium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylbenzene-2-id-1-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;platinum;tris(platinum(2+));4-(3-pyrazol-1-ylbenzene-2-id-1-yl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide is CCN(O[PH+](c1ccccc1)c1ccccc1)c1[c-]c2c(o1)C(C)C(C)N2c1[c-]c(-c2cccc3c2[n-]c[n+]3C)ccc1.C[n+]1c[n-]c2c1[n+](C)cn2-c1[c-]c(N(C/[C-]=C/c2coc3ocnc23)c2ccccc2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[c-]1c(-c2cccc3ocnc23)cccc1N(c1[c-]c(-n2ccc3cccnc32)ccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3ccccn3)ccc2c2ccccc21.[c-]1c(-n2cccn2)cccc1-n1ccc2oc(-c3cscn3)[c-]c21.

What is the InChIKey of 3-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(3,4-dimethylimidazo[4,5-d]imidazole-3,4-diium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylbenzene-2-id-1-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;platinum;tris(platinum(2+));4-(3-pyrazol-1-ylbenzene-2-id-1-yl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide?

The InChIKey is WEXZPIMHISYWAR-UHFFFAOYSA-O. The full InChI is InChI=1S/C36H33N4O2P.C32H20N4O.C28H17N3.C26H21N6O2.C18H10N4OS.5Pt/c1-5-39(42-43(29-16-8-6-9-17-29)30-18-10-7-11-19-30)34-23-33-36(41-34)25(2)26(3)40(33)28-15-12-14-27(22-28)31-20-13-21-32-35(31)37-24-38(32)4;1-2-10-25(11-3-1)36(27-13-4-8-24(20-27)29-15-6-16-30-31(29)34-22-37-30)28-14-5-12-26(21-28)35-19-17-23-9-7-18-33-32(23)35;1-2-13-27-23(10-1)24-15-14-21(26-12-4-6-17-30-26)19-28(24)31(27)22-9-7-8-20(18-22)25-11-3-5-16-29-25;1-29-16-27-24-25(29)30(2)18-32(24)22-12-6-11-21(14-22)31(20-9-4-3-5-10-20)13-7-8-19-15-33-26-23(19)28-17-34-26;1-3-13(9-14(4-1)22-7-2-6-20-22)21-8-5-17-16(21)10-18(23-17)15-11-24-12-19-15;;;;;/h6-21,24-26H,5H2,1-4H3;1-19,22H;1-17H;3-6,8-12,15-18H,13H2,1-2H3;1-8,11-12H;;;;;/q3*-2;-1;-2;;;3*+2/p+1.

What are the key properties of 3-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(3,4-dimethylimidazo[4,5-d]imidazole-3,4-diium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylbenzene-2-id-1-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;platinum;tris(platinum(2+));4-(3-pyrazol-1-ylbenzene-2-id-1-yl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide?

3-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(3,4-dimethylimidazo[4,5-d]imidazole-3,4-diium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylbenzene-2-id-1-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;platinum;tris(platinum(2+));4-(3-pyrazol-1-ylbenzene-2-id-1-yl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide has a molecular weight of 3212.93 g/mol, XLogP of 28.62, 25 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(3,4-dimethylimidazo[4,5-d]imidazole-3,4-diium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylbenzene-2-id-1-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;platinum;tris(platinum(2+));4-(3-pyrazol-1-ylbenzene-2-id-1-yl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide is sourced from PubChem (CID 157113082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).