[2-[2-(1,3-benzoxazol-4-yl)pyrido[2,3-b]indol-9-yl]-1H-thieno[3,2-a]carbazol-1-id-10-yl]-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;[2-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]-6H-[1,3]oxazolo[4,5-a]phenazin-11-yl]-diphenylphosphanium;bis(iridium);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;bis(rhodium);rhodium(2+)

C159H110Ir2N27O5P2Rh3S2- — CID 157262429

About [2-[2-(1,3-benzoxazol-4-yl)pyrido[2,3-b]indol-9-yl]-1H-thieno[3,2-a]carbazol-1-id-10-yl]-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;[2-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]-6H-[1,3]oxazolo[4,5-a]phenazin-11-yl]-diphenylphosphanium;bis(iridium);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;bis(rhodium);rhodium(2+)

[2-[2-(1,3-benzoxazol-4-yl)pyrido[2,3-b]indol-9-yl]-1H-thieno[3,2-a]carbazol-1-id-10-yl]-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;[2-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]-6H-[1,3]oxazolo[4,5-a]phenazin-11-yl]-diphenylphosphanium;bis(iridium);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;bis(rhodium);rhodium(2+) (PubChem CID 157262429) has the molecular formula C159H110Ir2N27O5P2Rh3S2- and a molecular weight of 3298.05 g/mol. Its IUPAC name is [2-[2-(1,3-benzoxazol-4-yl)pyrido[2,3-b]indol-9-yl]-1H-thieno[3,2-a]carbazol-1-id-10-yl]-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;[2-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]-6H-[1,3]oxazolo[4,5-a]phenazin-11-yl]-diphenylphosphanium;bis(iridium);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;bis(rhodium);rhodium(2+).

Molecular Properties

• Compound Name: [2-[2-(1,3-benzoxazol-4-yl)pyrido[2,3-b]indol-9-yl]-1H-thieno[3,2-a]carbazol-1-id-10-yl]-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;[2-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]-6H-[1,3]oxazolo[4,5-a]phenazin-11-yl]-diphenylphosphanium;bis(iridium);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;bis(rhodium);rhodium(2+)
• PubChem CID: 157262429
• Molecular Formula: C159H110Ir2N27O5P2Rh3S2-
• Molecular Weight: 3298.05 g/mol
• Exact Mass: 3297.45
• IUPAC Name: [2-[2-(1,3-benzoxazol-4-yl)pyrido[2,3-b]indol-9-yl]-1H-thieno[3,2-a]carbazol-1-id-10-yl]-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;[2-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]-6H-[1,3]oxazolo[4,5-a]phenazin-11-yl]-diphenylphosphanium;bis(iridium);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;bis(rhodium);rhodium(2+)
• SMILES: CN1c2ccc(-c3cn(C)c4c3[n-]c[n+]4C)[c-]c2N(c2nc3c4c(ccc3o2)Nc2ccccc2N4[PH+](c2ccccc2)c2ccccc2)c2ccccc21.Cn1cc(-c2cccc(N(C/[C-]=C/c3coc4ocnc34)c3ccccc3)n2)c2[n-]c[n+](C)c21.[Ir].[Ir].[Rh+2].[Rh].[Rh].[c-]1c(-c2ccccn2)ccc2c3ccccc3n(-c3cccc(-c4ccccn4)n3)c12.[c-]1c(-c2cscn2)oc2ccn(-c3cccc(-n4cccn4)n3)c12.[c-]1c(-n2c3ccccc3c3ccc(-c4cccc5ocnc45)nc32)sc2ccc3c4ccccc4n([PH+](c4ccccc4)c4ccccc4)c3c12
• InChI: InChI=1S/C45H34N8OP.C44H26N4OPS.C27H17N4.C26H21N6O2.C17H10N5OS.2Ir.3Rh/c1-49-27-32(41-44(49)50(2)28-46-41)29-22-24-37-39(26-29)52(38-21-13-12-20-36(38)51(37)3)45-48-42-40(54-45)25-23-34-43(42)53(35-19-11-10-18-33(35)47-34)55(30-14-6-4-7-15-30)31-16-8-5-9-17-31;1-3-12-28(13-4-1)50(29-14-5-2-6-15-29)48-38-20-10-8-16-30(38)32-23-25-40-35(43(32)48)26-41(51-40)47-37-19-9-7-17-31(37)33-22-24-36(46-44(33)47)34-18-11-21-39-42(34)45-27-49-39;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;;;;;/h4-25,27-28,47H,1-3H3;1-25,27H;1-17H;3-6,8-12,14-17H,13H2,1-2H3;1-8,10-11H;;;;;/q5*-1;;;;;+2/p+2
• InChIKey: XPNRCQSPASWQBF-UHFFFAOYSA-P
• XLogP: 34.06
• TPSA: 302.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3298.05
LogP ≤ 5	34.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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 [2-[2-(1,3-benzoxazol-4-yl)pyrido[2,3-b]indol-9-yl]-1H-thieno[3,2-a]carbazol-1-id-10-yl]-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;[2-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]-6H-[1,3]oxazolo[4,5-a]phenazin-11-yl]-diphenylphosphanium;bis(iridium);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;bis(rhodium);rhodium(2+)?

The IUPAC name of [2-[2-(1,3-benzoxazol-4-yl)pyrido[2,3-b]indol-9-yl]-1H-thieno[3,2-a]carbazol-1-id-10-yl]-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;[2-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]-6H-[1,3]oxazolo[4,5-a]phenazin-11-yl]-diphenylphosphanium;bis(iridium);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;bis(rhodium);rhodium(2+) (CID 157262429) is [2-[2-(1,3-benzoxazol-4-yl)pyrido[2,3-b]indol-9-yl]-1H-thieno[3,2-a]carbazol-1-id-10-yl]-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;[2-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]-6H-[1,3]oxazolo[4,5-a]phenazin-11-yl]-diphenylphosphanium;bis(iridium);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;bis(rhodium);rhodium(2+).

What is the SMILES notation for [2-[2-(1,3-benzoxazol-4-yl)pyrido[2,3-b]indol-9-yl]-1H-thieno[3,2-a]carbazol-1-id-10-yl]-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;[2-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]-6H-[1,3]oxazolo[4,5-a]phenazin-11-yl]-diphenylphosphanium;bis(iridium);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;bis(rhodium);rhodium(2+)?

The canonical SMILES for [2-[2-(1,3-benzoxazol-4-yl)pyrido[2,3-b]indol-9-yl]-1H-thieno[3,2-a]carbazol-1-id-10-yl]-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;[2-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]-6H-[1,3]oxazolo[4,5-a]phenazin-11-yl]-diphenylphosphanium;bis(iridium);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;bis(rhodium);rhodium(2+) is CN1c2ccc(-c3cn(C)c4c3[n-]c[n+]4C)[c-]c2N(c2nc3c4c(ccc3o2)Nc2ccccc2N4[PH+](c2ccccc2)c2ccccc2)c2ccccc21.Cn1cc(-c2cccc(N(C/[C-]=C/c3coc4ocnc34)c3ccccc3)n2)c2[n-]c[n+](C)c21.[Ir].[Ir].[Rh+2].[Rh].[Rh].[c-]1c(-c2ccccn2)ccc2c3ccccc3n(-c3cccc(-c4ccccn4)n3)c12.[c-]1c(-c2cscn2)oc2ccn(-c3cccc(-n4cccn4)n3)c12.[c-]1c(-n2c3ccccc3c3ccc(-c4cccc5ocnc45)nc32)sc2ccc3c4ccccc4n([PH+](c4ccccc4)c4ccccc4)c3c12.

What is the InChIKey of [2-[2-(1,3-benzoxazol-4-yl)pyrido[2,3-b]indol-9-yl]-1H-thieno[3,2-a]carbazol-1-id-10-yl]-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;[2-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]-6H-[1,3]oxazolo[4,5-a]phenazin-11-yl]-diphenylphosphanium;bis(iridium);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;bis(rhodium);rhodium(2+)?

The InChIKey is XPNRCQSPASWQBF-UHFFFAOYSA-P. The full InChI is InChI=1S/C45H34N8OP.C44H26N4OPS.C27H17N4.C26H21N6O2.C17H10N5OS.2Ir.3Rh/c1-49-27-32(41-44(49)50(2)28-46-41)29-22-24-37-39(26-29)52(38-21-13-12-20-36(38)51(37)3)45-48-42-40(54-45)25-23-34-43(42)53(35-19-11-10-18-33(35)47-34)55(30-14-6-4-7-15-30)31-16-8-5-9-17-31;1-3-12-28(13-4-1)50(29-14-5-2-6-15-29)48-38-20-10-8-16-30(38)32-23-25-40-35(43(32)48)26-41(51-40)47-37-19-9-7-17-31(37)33-22-24-36(46-44(33)47)34-18-11-21-39-42(34)45-27-49-39;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;;;;;/h4-25,27-28,47H,1-3H3;1-25,27H;1-17H;3-6,8-12,14-17H,13H2,1-2H3;1-8,10-11H;;;;;/q5*-1;;;;;+2/p+2.

What are the key properties of [2-[2-(1,3-benzoxazol-4-yl)pyrido[2,3-b]indol-9-yl]-1H-thieno[3,2-a]carbazol-1-id-10-yl]-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;[2-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]-6H-[1,3]oxazolo[4,5-a]phenazin-11-yl]-diphenylphosphanium;bis(iridium);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;bis(rhodium);rhodium(2+)?

[2-[2-(1,3-benzoxazol-4-yl)pyrido[2,3-b]indol-9-yl]-1H-thieno[3,2-a]carbazol-1-id-10-yl]-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;[2-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]-6H-[1,3]oxazolo[4,5-a]phenazin-11-yl]-diphenylphosphanium;bis(iridium);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;bis(rhodium);rhodium(2+) has a molecular weight of 3298.05 g/mol, XLogP of 34.06, 22 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(1,3-benzoxazol-4-yl)pyrido[2,3-b]indol-9-yl]-1H-thieno[3,2-a]carbazol-1-id-10-yl]-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;[2-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]-6H-[1,3]oxazolo[4,5-a]phenazin-11-yl]-diphenylphosphanium;bis(iridium);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;bis(rhodium);rhodium(2+) is sourced from PubChem (CID 157262429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).