6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+))

C144H96N25O5Rh5- — CID 157296318

IUPAC6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+))
SMILESCn1[c-]c(-c2nc3c(ccn3-c3cccc(-n4cccn4)n3)o2)c2ccccc21.Cn1cc(-c2cccc(N(CN=Cc3coc4oc[c-]c34)c3ccccc3)n2)c2[n-]c[n+](C)c21.[Rh+2].[Rh+2].[Rh+2].[Rh].[Rh].[c-]1cccc2cccc(-c3cccc(N4c5ccccc5Oc5ccc(-n6c7ccccc7c7cccnc76)nc54)n3)c12.[c-]1ccccc1-c1cccc(-n2c3c(c4ccccc42)C=CC(c2ccccn2)[N-]3)n1.[c-]1coc2cccc(-c3cccc(N(c4ccccc4)c4cccc(-n5ccc6ccc[c-]c65)n4)n3)c12
InChIInChI=1S/C37H22N5O.C32H20N4O.C27H18N4.C26H21N6O2.C22H15N6O.5Rh/c1-2-12-25-24(10-1)11-7-14-26(25)29-16-8-20-34(39-29)42-31-18-5-6-19-32(31)43-33-21-22-35(40-37(33)42)41-30-17-4-3-13-27(30)28-15-9-23-38-36(28)41;1-2-10-24(11-3-1)36(31-17-7-13-27(33-31)25-12-6-15-29-26(25)20-22-37-29)32-18-8-16-30(34-32)35-21-19-23-9-4-5-14-28(23)35;1-2-9-19(10-3-1)22-13-8-15-26(29-22)31-25-14-5-4-11-20(25)21-16-17-24(30-27(21)31)23-12-6-7-18-28-23;1-30-14-21(24-25(30)31(2)17-28-24)22-9-6-10-23(29-22)32(19-7-4-3-5-8-19)16-27-13-18-15-34-26-20(18)11-12-33-26;1-26-14-16(15-6-2-3-7-17(15)26)22-25-21-18(29-22)10-13-27(21)19-8-4-9-20(24-19)28-12-5-11-23-28;;;;;/h1-11,13-23H;1-13,15-19,21-22H;1-9,11-18,24H;3-10,12-15,17H,16H2,1-2H3;2-13H,1H3;;;;;/q-1;2*-2;2*-1;;;3*+2
InChIKeyAZCJXMMZDFNJFI-UHFFFAOYSA-N
MW2771.05 g/mol
LogP32.25
Rot. Bonds20

About 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+))

6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+)) (PubChem CID 157296318) has the molecular formula C144H96N25O5Rh5- and a molecular weight of 2771.05 g/mol. Its IUPAC name is 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+)).

Molecular Properties

Compound Name6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+))
PubChem CID157296318
Molecular FormulaC144H96N25O5Rh5-
Molecular Weight2771.05 g/mol
Exact Mass2769.33
IUPAC Name6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+))
SMILESCn1[c-]c(-c2nc3c(ccn3-c3cccc(-n4cccn4)n3)o2)c2ccccc21.Cn1cc(-c2cccc(N(CN=Cc3coc4oc[c-]c34)c3ccccc3)n2)c2[n-]c[n+](C)c21.[Rh+2].[Rh+2].[Rh+2].[Rh].[Rh].[c-]1cccc2cccc(-c3cccc(N4c5ccccc5Oc5ccc(-n6c7ccccc7c7cccnc76)nc54)n3)c12.[c-]1ccccc1-c1cccc(-n2c3c(c4ccccc42)C=CC(c2ccccn2)[N-]3)n1.[c-]1coc2cccc(-c3cccc(N(c4ccccc4)c4cccc(-n5ccc6ccc[c-]c65)n4)n3)c12
InChIInChI=1S/C37H22N5O.C32H20N4O.C27H18N4.C26H21N6O2.C22H15N6O.5Rh/c1-2-12-25-24(10-1)11-7-14-26(25)29-16-8-20-34(39-29)42-31-18-5-6-19-32(31)43-33-21-22-35(40-37(33)42)41-30-17-4-3-13-27(30)28-15-9-23-38-36(28)41;1-2-10-24(11-3-1)36(31-17-7-13-27(33-31)25-12-6-15-29-26(25)20-22-37-29)32-18-8-16-30(34-32)35-21-19-23-9-4-5-14-28(23)35;1-2-9-19(10-3-1)22-13-8-15-26(29-22)31-25-14-5-4-11-20(25)21-16-17-24(30-27(21)31)23-12-6-7-18-28-23;1-30-14-21(24-25(30)31(2)17-28-24)22-9-6-10-23(29-22)32(19-7-4-3-5-8-19)16-27-13-18-15-34-26-20(18)11-12-33-26;1-26-14-16(15-6-2-3-7-17(15)26)22-25-21-18(29-22)10-13-27(21)19-8-4-9-20(24-19)28-12-5-11-23-28;;;;;/h1-11,13-23H;1-13,15-19,21-22H;1-9,11-18,24H;3-10,12-15,17H,16H2,1-2H3;2-13H,1H3;;;;;/q-1;2*-2;2*-1;;;3*+2
InChIKeyAZCJXMMZDFNJFI-UHFFFAOYSA-N
XLogP32.25
TPSA292.25 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms179
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002771.05
LogP ≤ 532.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+)) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+))?
The IUPAC name of 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+)) (CID 157296318) is 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+)).
What is the SMILES notation for 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+))?
The canonical SMILES for 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+)) is Cn1[c-]c(-c2nc3c(ccn3-c3cccc(-n4cccn4)n3)o2)c2ccccc21.Cn1cc(-c2cccc(N(CN=Cc3coc4oc[c-]c34)c3ccccc3)n2)c2[n-]c[n+](C)c21.[Rh+2].[Rh+2].[Rh+2].[Rh].[Rh].[c-]1cccc2cccc(-c3cccc(N4c5ccccc5Oc5ccc(-n6c7ccccc7c7cccnc76)nc54)n3)c12.[c-]1ccccc1-c1cccc(-n2c3c(c4ccccc42)C=CC(c2ccccn2)[N-]3)n1.[c-]1coc2cccc(-c3cccc(N(c4ccccc4)c4cccc(-n5ccc6ccc[c-]c65)n4)n3)c12.
What is the InChIKey of 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+))?
The InChIKey is AZCJXMMZDFNJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N5O.C32H20N4O.C27H18N4.C26H21N6O2.C22H15N6O.5Rh/c1-2-12-25-24(10-1)11-7-14-26(25)29-16-8-20-34(39-29)42-31-18-5-6-19-32(31)43-33-21-22-35(40-37(33)42)41-30-17-4-3-13-27(30)28-15-9-23-38-36(28)41;1-2-10-24(11-3-1)36(31-17-7-13-27(33-31)25-12-6-15-29-26(25)20-22-37-29)32-18-8-16-30(34-32)35-21-19-23-9-4-5-14-28(23)35;1-2-9-19(10-3-1)22-13-8-15-26(29-22)31-25-14-5-4-11-20(25)21-16-17-24(30-27(21)31)23-12-6-7-18-28-23;1-30-14-21(24-25(30)31(2)17-28-24)22-9-6-10-23(29-22)32(19-7-4-3-5-8-19)16-27-13-18-15-34-26-20(18)11-12-33-26;1-26-14-16(15-6-2-3-7-17(15)26)22-25-21-18(29-22)10-13-27(21)19-8-4-9-20(24-19)28-12-5-11-23-28;;;;;/h1-11,13-23H;1-13,15-19,21-22H;1-9,11-18,24H;3-10,12-15,17H,16H2,1-2H3;2-13H,1H3;;;;;/q-1;2*-2;2*-1;;;3*+2.
What are the key properties of 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+))?
6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+)) has a molecular weight of 2771.05 g/mol, XLogP of 32.25, 20 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-yl-2H-pyrido[2,3-b]indol-1-ide;bis(rhodium);tris(rhodium(2+)) is sourced from PubChem (CID 157296318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).