6-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)pyridin-2-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydropyrrolo[2,3-d][1,3]oxazol-2-yl]-ethylamino]oxy-diphenylphosphanium;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylpyridin-2-amine;4-(6-pyrazol-1-yl-2-pyridinyl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(6-pyridin-2-yl-2-pyridinyl)-1H-carbazol-1-ide;tris(rhodium);bis(rhodium(2+))

C136H102N25O6PRh5S — CID 157451496

About 6-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)pyridin-2-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydropyrrolo[2,3-d][1,3]oxazol-2-yl]-ethylamino]oxy-diphenylphosphanium;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylpyridin-2-amine;4-(6-pyrazol-1-yl-2-pyridinyl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(6-pyridin-2-yl-2-pyridinyl)-1H-carbazol-1-ide;tris(rhodium);bis(rhodium(2+))

6-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)pyridin-2-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydropyrrolo[2,3-d][1,3]oxazol-2-yl]-ethylamino]oxy-diphenylphosphanium;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylpyridin-2-amine;4-(6-pyrazol-1-yl-2-pyridinyl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(6-pyridin-2-yl-2-pyridinyl)-1H-carbazol-1-ide;tris(rhodium);bis(rhodium(2+)) (PubChem CID 157451496) has the molecular formula C136H102N25O6PRh5S and a molecular weight of 2760.05 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)pyridin-2-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydropyrrolo[2,3-d][1,3]oxazol-2-yl]-ethylamino]oxy-diphenylphosphanium;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylpyridin-2-amine;4-(6-pyrazol-1-yl-2-pyridinyl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(6-pyridin-2-yl-2-pyridinyl)-1H-carbazol-1-ide;tris(rhodium);bis(rhodium(2+)).

Molecular Properties

• Compound Name: 6-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)pyridin-2-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydropyrrolo[2,3-d][1,3]oxazol-2-yl]-ethylamino]oxy-diphenylphosphanium;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylpyridin-2-amine;4-(6-pyrazol-1-yl-2-pyridinyl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(6-pyridin-2-yl-2-pyridinyl)-1H-carbazol-1-ide;tris(rhodium);bis(rhodium(2+))
• PubChem CID: 157451496
• Molecular Formula: C136H102N25O6PRh5S
• Molecular Weight: 2760.05 g/mol
• Exact Mass: 2758.32
• IUPAC Name: 6-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)pyridin-2-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydropyrrolo[2,3-d][1,3]oxazol-2-yl]-ethylamino]oxy-diphenylphosphanium;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylpyridin-2-amine;4-(6-pyrazol-1-yl-2-pyridinyl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(6-pyridin-2-yl-2-pyridinyl)-1H-carbazol-1-ide;tris(rhodium);bis(rhodium(2+))
• SMILES: CCN(O[PH+](c1ccccc1)c1ccccc1)c1nc2c(o1)C(C)C(C)N2c1[c-]c(-c2cccc3c2[n-]c[n+]3C)ccc1.Cn1cc(-c2cccc(N(C/[C-]=C/c3coc4ocnc34)c3ccccc3)n2)c2[n-]c[n+](C)c21.[Rh+2].[Rh+2].[Rh].[Rh].[Rh].[c-]1c(-c2ccccn2)ccc2c3ccccc3n(-c3cccc(-c4ccccn4)n3)c12.[c-]1c(-c2cscn2)oc2ccn(-c3cccc(-n4cccn4)n3)c12.[c-]1c(N(c2ccccc2)c2cccc(-c3cccc4ocnc34)n2)cccc1-n1ccc2cccnc21
• InChI: InChI=1S/C35H33N5O2P.C31H20N5O.C27H17N4.C26H21N6O2.C17H10N5OS.5Rh/c1-5-39(42-43(28-16-8-6-9-17-28)29-18-10-7-11-19-29)35-37-34-33(41-35)24(2)25(3)40(34)27-15-12-14-26(22-27)30-20-13-21-31-32(30)36-23-38(31)4;1-2-9-23(10-3-1)36(25-12-4-11-24(20-25)35-19-17-22-8-7-18-32-31(22)35)29-16-6-14-27(34-29)26-13-5-15-28-30(26)33-21-37-28;1-2-12-25-20(8-1)21-15-14-19(22-9-3-5-16-28-22)18-26(21)31(25)27-13-7-11-24(30-27)23-10-4-6-17-29-23;1-30-14-20(24-25(30)31(2)16-27-24)21-11-6-12-22(29-21)32(19-9-4-3-5-10-19)13-7-8-18-15-33-26-23(18)28-17-34-26;1-3-16(20-17(4-1)22-7-2-6-19-22)21-8-5-14-13(21)9-15(23-14)12-10-24-11-18-12;;;;;/h6-21,23-25H,5H2,1-4H3;1-19,21H;1-17H;3-6,8-12,14-17H,13H2,1-2H3;1-8,10-11H;;;;;/q5*-1;;;;2*+2/p+1
• InChIKey: DTCDIGHHRIZLRY-UHFFFAOYSA-O
• XLogP: 27.99
• TPSA: 303.18 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2760.05
LogP ≤ 5	27.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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 6-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)pyridin-2-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydropyrrolo[2,3-d][1,3]oxazol-2-yl]-ethylamino]oxy-diphenylphosphanium;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylpyridin-2-amine;4-(6-pyrazol-1-yl-2-pyridinyl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(6-pyridin-2-yl-2-pyridinyl)-1H-carbazol-1-ide;tris(rhodium);bis(rhodium(2+))?

The IUPAC name of 6-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)pyridin-2-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydropyrrolo[2,3-d][1,3]oxazol-2-yl]-ethylamino]oxy-diphenylphosphanium;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylpyridin-2-amine;4-(6-pyrazol-1-yl-2-pyridinyl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(6-pyridin-2-yl-2-pyridinyl)-1H-carbazol-1-ide;tris(rhodium);bis(rhodium(2+)) (CID 157451496) is 6-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)pyridin-2-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydropyrrolo[2,3-d][1,3]oxazol-2-yl]-ethylamino]oxy-diphenylphosphanium;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylpyridin-2-amine;4-(6-pyrazol-1-yl-2-pyridinyl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(6-pyridin-2-yl-2-pyridinyl)-1H-carbazol-1-ide;tris(rhodium);bis(rhodium(2+)).

What is the SMILES notation for 6-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)pyridin-2-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydropyrrolo[2,3-d][1,3]oxazol-2-yl]-ethylamino]oxy-diphenylphosphanium;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylpyridin-2-amine;4-(6-pyrazol-1-yl-2-pyridinyl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(6-pyridin-2-yl-2-pyridinyl)-1H-carbazol-1-ide;tris(rhodium);bis(rhodium(2+))?

The canonical SMILES for 6-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)pyridin-2-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydropyrrolo[2,3-d][1,3]oxazol-2-yl]-ethylamino]oxy-diphenylphosphanium;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylpyridin-2-amine;4-(6-pyrazol-1-yl-2-pyridinyl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(6-pyridin-2-yl-2-pyridinyl)-1H-carbazol-1-ide;tris(rhodium);bis(rhodium(2+)) is CCN(O[PH+](c1ccccc1)c1ccccc1)c1nc2c(o1)C(C)C(C)N2c1[c-]c(-c2cccc3c2[n-]c[n+]3C)ccc1.Cn1cc(-c2cccc(N(C/[C-]=C/c3coc4ocnc34)c3ccccc3)n2)c2[n-]c[n+](C)c21.[Rh+2].[Rh+2].[Rh].[Rh].[Rh].[c-]1c(-c2ccccn2)ccc2c3ccccc3n(-c3cccc(-c4ccccn4)n3)c12.[c-]1c(-c2cscn2)oc2ccn(-c3cccc(-n4cccn4)n3)c12.[c-]1c(N(c2ccccc2)c2cccc(-c3cccc4ocnc34)n2)cccc1-n1ccc2cccnc21.

What is the InChIKey of 6-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)pyridin-2-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydropyrrolo[2,3-d][1,3]oxazol-2-yl]-ethylamino]oxy-diphenylphosphanium;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylpyridin-2-amine;4-(6-pyrazol-1-yl-2-pyridinyl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(6-pyridin-2-yl-2-pyridinyl)-1H-carbazol-1-ide;tris(rhodium);bis(rhodium(2+))?

The InChIKey is DTCDIGHHRIZLRY-UHFFFAOYSA-O. The full InChI is InChI=1S/C35H33N5O2P.C31H20N5O.C27H17N4.C26H21N6O2.C17H10N5OS.5Rh/c1-5-39(42-43(28-16-8-6-9-17-28)29-18-10-7-11-19-29)35-37-34-33(41-35)24(2)25(3)40(34)27-15-12-14-26(22-27)30-20-13-21-31-32(30)36-23-38(31)4;1-2-9-23(10-3-1)36(25-12-4-11-24(20-25)35-19-17-22-8-7-18-32-31(22)35)29-16-6-14-27(34-29)26-13-5-15-28-30(26)33-21-37-28;1-2-12-25-20(8-1)21-15-14-19(22-9-3-5-16-28-22)18-26(21)31(25)27-13-7-11-24(30-27)23-10-4-6-17-29-23;1-30-14-20(24-25(30)31(2)16-27-24)21-11-6-12-22(29-21)32(19-9-4-3-5-10-19)13-7-8-18-15-33-26-23(18)28-17-34-26;1-3-16(20-17(4-1)22-7-2-6-19-22)21-8-5-14-13(21)9-15(23-14)12-10-24-11-18-12;;;;;/h6-21,23-25H,5H2,1-4H3;1-19,21H;1-17H;3-6,8-12,14-17H,13H2,1-2H3;1-8,10-11H;;;;;/q5*-1;;;;2*+2/p+1.

What are the key properties of 6-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)pyridin-2-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydropyrrolo[2,3-d][1,3]oxazol-2-yl]-ethylamino]oxy-diphenylphosphanium;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylpyridin-2-amine;4-(6-pyrazol-1-yl-2-pyridinyl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(6-pyridin-2-yl-2-pyridinyl)-1H-carbazol-1-ide;tris(rhodium);bis(rhodium(2+))?

6-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)pyridin-2-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydropyrrolo[2,3-d][1,3]oxazol-2-yl]-ethylamino]oxy-diphenylphosphanium;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylpyridin-2-amine;4-(6-pyrazol-1-yl-2-pyridinyl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(6-pyridin-2-yl-2-pyridinyl)-1H-carbazol-1-ide;tris(rhodium);bis(rhodium(2+)) has a molecular weight of 2760.05 g/mol, XLogP of 27.99, 25 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,3-benzoxazol-4-yl)-N-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylbenzene-2-id-1-yl)pyridin-2-amine;[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydropyrrolo[2,3-d][1,3]oxazol-2-yl]-ethylamino]oxy-diphenylphosphanium;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-(3-furo[3,2-d][1,3]oxazol-6-ylprop-2-enyl)-N-phenylpyridin-2-amine;4-(6-pyrazol-1-yl-2-pyridinyl)-2-(1,3-thiazol-4-yl)-3H-furo[3,2-b]pyrrol-3-ide;2-pyridin-2-yl-9-(6-pyridin-2-yl-2-pyridinyl)-1H-carbazol-1-ide;tris(rhodium);bis(rhodium(2+)) is sourced from PubChem (CID 157451496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).