9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;N-phenyl-N-(6-pyridin-2-yl-2-pyridinyl)-4-quinolin-2-yl-1,3-benzothiazol-2-amine;1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide;tetrakis(rhodium)

C122H85N23O2Rh4S2-2 — CID 157477249

About 9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;N-phenyl-N-(6-pyridin-2-yl-2-pyridinyl)-4-quinolin-2-yl-1,3-benzothiazol-2-amine;1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide;tetrakis(rhodium)

9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;N-phenyl-N-(6-pyridin-2-yl-2-pyridinyl)-4-quinolin-2-yl-1,3-benzothiazol-2-amine;1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide;tetrakis(rhodium) (PubChem CID 157477249) has the molecular formula C122H85N23O2Rh4S2-2 and a molecular weight of 2380.94 g/mol. Its IUPAC name is 9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;N-phenyl-N-(6-pyridin-2-yl-2-pyridinyl)-4-quinolin-2-yl-1,3-benzothiazol-2-amine;1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide;tetrakis(rhodium).

Molecular Properties

• Compound Name: 9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;N-phenyl-N-(6-pyridin-2-yl-2-pyridinyl)-4-quinolin-2-yl-1,3-benzothiazol-2-amine;1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide;tetrakis(rhodium)
• PubChem CID: 157477249
• Molecular Formula: C122H85N23O2Rh4S2-2
• Molecular Weight: 2380.94 g/mol
• Exact Mass: 2379.29
• IUPAC Name: 9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;N-phenyl-N-(6-pyridin-2-yl-2-pyridinyl)-4-quinolin-2-yl-1,3-benzothiazol-2-amine;1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide;tetrakis(rhodium)
• SMILES: CC(=[N-])C1CCCc2cc3c4ccccc4n(-c4nc5c(-c6ccccn6)cccc5o4)c3nc21.CN1c2ccccc2N(c2cccc(-c3cn(C)c4c3[cH-]c[n+]4C)n2)c2nc3c(-c4ccccn4)coc3cc21.[Rh].[Rh].[Rh].[Rh].[c-]1cc2ccccc2n1-c1cccc(-n2c3ccccc3n3c4scc(-c5ccccn5)c4nc23)n1.c1ccc(N(c2cccc(-c3ccccn3)n2)c2nc3c(-c4ccc5ccccc5n4)cccc3s2)cc1
• InChI: InChI=1S/C32H25N7O.C32H21N5S.C29H17N6S.C29H22N5O.4Rh/c1-36-16-14-20-21(18-37(2)32(20)36)24-10-8-13-29(34-24)39-26-12-5-4-11-25(26)38(3)27-17-28-30(35-31(27)39)22(19-40-28)23-9-6-7-15-33-23;1-2-11-23(12-3-1)37(30-18-9-16-28(35-30)27-15-6-7-21-33-27)32-36-31-24(13-8-17-29(31)38-32)26-20-19-22-10-4-5-14-25(22)34-26;1-2-10-22-19(8-1)15-17-33(22)25-13-7-14-26(31-25)34-23-11-3-4-12-24(23)35-28-27(32-29(34)35)20(18-36-28)21-9-5-6-16-30-21;1-17(30)19-10-6-8-18-16-22-20-9-2-3-13-24(20)34(28(22)32-26(18)19)29-33-27-21(11-7-14-25(27)35-29)23-12-4-5-15-31-23;;;;/h4-19H,1-3H3;1-21H;1-16,18H;2-5,7,9,11-16,19H,6,8,10H2,1H3;;;;/q;;2*-1
• InChIKey: FPQJQZGHFQEQMH-UHFFFAOYSA-N
• XLogP: 28.49
• TPSA: 253.88 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2380.94
LogP ≤ 5	28.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

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'}

Frequently Asked Questions

What is the IUPAC name of 9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;N-phenyl-N-(6-pyridin-2-yl-2-pyridinyl)-4-quinolin-2-yl-1,3-benzothiazol-2-amine;1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide;tetrakis(rhodium)?

The IUPAC name of 9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;N-phenyl-N-(6-pyridin-2-yl-2-pyridinyl)-4-quinolin-2-yl-1,3-benzothiazol-2-amine;1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide;tetrakis(rhodium) (CID 157477249) is 9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;N-phenyl-N-(6-pyridin-2-yl-2-pyridinyl)-4-quinolin-2-yl-1,3-benzothiazol-2-amine;1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide;tetrakis(rhodium).

What is the SMILES notation for 9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;N-phenyl-N-(6-pyridin-2-yl-2-pyridinyl)-4-quinolin-2-yl-1,3-benzothiazol-2-amine;1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide;tetrakis(rhodium)?

The canonical SMILES for 9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;N-phenyl-N-(6-pyridin-2-yl-2-pyridinyl)-4-quinolin-2-yl-1,3-benzothiazol-2-amine;1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide;tetrakis(rhodium) is CC(=[N-])C1CCCc2cc3c4ccccc4n(-c4nc5c(-c6ccccn6)cccc5o4)c3nc21.CN1c2ccccc2N(c2cccc(-c3cn(C)c4c3[cH-]c[n+]4C)n2)c2nc3c(-c4ccccn4)coc3cc21.[Rh].[Rh].[Rh].[Rh].[c-]1cc2ccccc2n1-c1cccc(-n2c3ccccc3n3c4scc(-c5ccccn5)c4nc23)n1.c1ccc(N(c2cccc(-c3ccccn3)n2)c2nc3c(-c4ccc5ccccc5n4)cccc3s2)cc1.

What is the InChIKey of 9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;N-phenyl-N-(6-pyridin-2-yl-2-pyridinyl)-4-quinolin-2-yl-1,3-benzothiazol-2-amine;1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide;tetrakis(rhodium)?

The InChIKey is FPQJQZGHFQEQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N7O.C32H21N5S.C29H17N6S.C29H22N5O.4Rh/c1-36-16-14-20-21(18-37(2)32(20)36)24-10-8-13-29(34-24)39-26-12-5-4-11-25(26)38(3)27-17-28-30(35-31(27)39)22(19-40-28)23-9-6-7-15-33-23;1-2-11-23(12-3-1)37(30-18-9-16-28(35-30)27-15-6-7-21-33-27)32-36-31-24(13-8-17-29(31)38-32)26-20-19-22-10-4-5-14-25(22)34-26;1-2-10-22-19(8-1)15-17-33(22)25-13-7-14-26(31-25)34-23-11-3-4-12-24(23)35-28-27(32-29(34)35)20(18-36-28)21-9-5-6-16-30-21;1-17(30)19-10-6-8-18-16-22-20-9-2-3-13-24(20)34(28(22)32-26(18)19)29-33-27-21(11-7-14-25(27)35-29)23-12-4-5-15-31-23;;;;/h4-19H,1-3H3;1-21H;1-16,18H;2-5,7,9,11-16,19H,6,8,10H2,1H3;;;;/q;;2*-1;;;;.

What are the key properties of 9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;N-phenyl-N-(6-pyridin-2-yl-2-pyridinyl)-4-quinolin-2-yl-1,3-benzothiazol-2-amine;1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide;tetrakis(rhodium)?

9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;N-phenyl-N-(6-pyridin-2-yl-2-pyridinyl)-4-quinolin-2-yl-1,3-benzothiazol-2-amine;1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide;tetrakis(rhodium) has a molecular weight of 2380.94 g/mol, XLogP of 28.49, 14 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;N-phenyl-N-(6-pyridin-2-yl-2-pyridinyl)-4-quinolin-2-yl-1,3-benzothiazol-2-amine;1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide;tetrakis(rhodium) is sourced from PubChem (CID 157477249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).