4-[3-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]benzene-2-id-1-yl]-1,3-benzothiazole;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;bis(platinum(2+));10-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide

C146H105N17PPt4S2-3 — CID 157090005

About 4-[3-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]benzene-2-id-1-yl]-1,3-benzothiazole;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;bis(platinum(2+));10-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide

4-[3-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]benzene-2-id-1-yl]-1,3-benzothiazole;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;bis(platinum(2+));10-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide (PubChem CID 157090005) has the molecular formula C146H105N17PPt4S2-3 and a molecular weight of 2972.98 g/mol. Its IUPAC name is 4-[3-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]benzene-2-id-1-yl]-1,3-benzothiazole;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;bis(platinum(2+));10-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide.

Molecular Properties

• Compound Name: 4-[3-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]benzene-2-id-1-yl]-1,3-benzothiazole;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;bis(platinum(2+));10-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide
• PubChem CID: 157090005
• Molecular Formula: C146H105N17PPt4S2-3
• Molecular Weight: 2972.98 g/mol
• Exact Mass: 2970.65
• IUPAC Name: 4-[3-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]benzene-2-id-1-yl]-1,3-benzothiazole;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;bis(platinum(2+));10-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide
• SMILES: CC(C)(c1[c-]c(N2c3[c-]c(-c4cccc5cccnc45)ccc3CCc3ccccc32)ccc1)[PH+](c1ccccc1)c1ccccc1.CN1c2ccc(-c3cn(C)c4c3[n-]c[n+]4C)[c-]c2N(c2[c-]c(-c3cccc4scnc34)ccc2)c2ccccc21.C[n+]1c[n-]c2c(-c3[c-]c4c(cc3)CCc3ccccc3N4c3[c-]c(-n4c5ccccc5c5cccnc54)ccc3)cccc21.[Pt+2].[Pt+2].[Pt].[Pt].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3ccc4cccnc43)ccc2Sc2ccccc21
• InChI: InChI=1S/C44H35N2P.C39H27N5.C33H24N6S.C30H18N4S.4Pt/c1-44(2,47(38-19-5-3-6-20-38)39-21-7-4-8-22-39)36-17-12-18-37(31-36)46-41-24-10-9-14-32(41)25-26-33-27-28-35(30-42(33)46)40-23-11-15-34-16-13-29-45-43(34)40;1-42-25-41-38-31(13-7-17-36(38)42)28-21-20-27-19-18-26-9-2-4-15-34(26)43(37(27)23-28)29-10-6-11-30(24-29)44-35-16-5-3-12-32(35)33-14-8-22-40-39(33)44;1-36-18-25(32-33(36)37(2)19-34-32)22-14-15-27-29(17-22)39(28-12-5-4-11-26(28)38(27)3)23-9-6-8-21(16-23)24-10-7-13-30-31(24)35-20-40-30;1-2-12-28-26(11-1)34(24-9-5-7-22(19-24)25-10-3-4-16-31-25)27-20-23(13-14-29(27)35-28)33-18-15-21-8-6-17-32-30(21)33;;;;/h3-24,27-29H,25-26H2,1-2H3;2-17,20-22,25H,18-19H2,1H3;4-15,18-20H,1-3H3;1-18H;;;;/q4*-2;;;2*+2/p+1
• InChIKey: LGVMUGUGTJAPKL-UHFFFAOYSA-O
• XLogP: 32.79
• TPSA: 131.40 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2972.98
LogP ≤ 5	32.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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 4-[3-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]benzene-2-id-1-yl]-1,3-benzothiazole;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;bis(platinum(2+));10-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide?

The IUPAC name of 4-[3-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]benzene-2-id-1-yl]-1,3-benzothiazole;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;bis(platinum(2+));10-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide (CID 157090005) is 4-[3-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]benzene-2-id-1-yl]-1,3-benzothiazole;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;bis(platinum(2+));10-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide.

What is the SMILES notation for 4-[3-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]benzene-2-id-1-yl]-1,3-benzothiazole;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;bis(platinum(2+));10-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide?

The canonical SMILES for 4-[3-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]benzene-2-id-1-yl]-1,3-benzothiazole;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;bis(platinum(2+));10-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide is CC(C)(c1[c-]c(N2c3[c-]c(-c4cccc5cccnc45)ccc3CCc3ccccc32)ccc1)[PH+](c1ccccc1)c1ccccc1.CN1c2ccc(-c3cn(C)c4c3[n-]c[n+]4C)[c-]c2N(c2[c-]c(-c3cccc4scnc34)ccc2)c2ccccc21.C[n+]1c[n-]c2c(-c3[c-]c4c(cc3)CCc3ccccc3N4c3[c-]c(-n4c5ccccc5c5cccnc54)ccc3)cccc21.[Pt+2].[Pt+2].[Pt].[Pt].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3ccc4cccnc43)ccc2Sc2ccccc21.

What is the InChIKey of 4-[3-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]benzene-2-id-1-yl]-1,3-benzothiazole;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;bis(platinum(2+));10-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide?

The InChIKey is LGVMUGUGTJAPKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C44H35N2P.C39H27N5.C33H24N6S.C30H18N4S.4Pt/c1-44(2,47(38-19-5-3-6-20-38)39-21-7-4-8-22-39)36-17-12-18-37(31-36)46-41-24-10-9-14-32(41)25-26-33-27-28-35(30-42(33)46)40-23-11-15-34-16-13-29-45-43(34)40;1-42-25-41-38-31(13-7-17-36(38)42)28-21-20-27-19-18-26-9-2-4-15-34(26)43(37(27)23-28)29-10-6-11-30(24-29)44-35-16-5-3-12-32(35)33-14-8-22-40-39(33)44;1-36-18-25(32-33(36)37(2)19-34-32)22-14-15-27-29(17-22)39(28-12-5-4-11-26(28)38(27)3)23-9-6-8-21(16-23)24-10-7-13-30-31(24)35-20-40-30;1-2-12-28-26(11-1)34(24-9-5-7-22(19-24)25-10-3-4-16-31-25)27-20-23(13-14-29(27)35-28)33-18-15-21-8-6-17-32-30(21)33;;;;/h3-24,27-29H,25-26H2,1-2H3;2-17,20-22,25H,18-19H2,1H3;4-15,18-20H,1-3H3;1-18H;;;;/q4*-2;;;2*+2/p+1.

What are the key properties of 4-[3-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]benzene-2-id-1-yl]-1,3-benzothiazole;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;bis(platinum(2+));10-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide?

4-[3-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]benzene-2-id-1-yl]-1,3-benzothiazole;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;bis(platinum(2+));10-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide has a molecular weight of 2972.98 g/mol, XLogP of 32.79, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-10-methyl-4H-phenazin-4-id-5-yl]benzene-2-id-1-yl]-1,3-benzothiazole;diphenyl-[2-[3-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]propan-2-yl]phosphanium;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;bis(platinum(2+));10-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide is sourced from PubChem (CID 157090005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).