[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-(3-pyrazol-1-yl-4H-furo[2,3-b]furan-4-id-5-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;9-[9-[1-(1-methylimidazol-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;palladium;tris(palladium(2+));2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide

C142H101N17O6P2Pd4 — CID 159940246

About [[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-(3-pyrazol-1-yl-4H-furo[2,3-b]furan-4-id-5-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;9-[9-[1-(1-methylimidazol-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;palladium;tris(palladium(2+));2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide

[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-(3-pyrazol-1-yl-4H-furo[2,3-b]furan-4-id-5-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;9-[9-[1-(1-methylimidazol-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;palladium;tris(palladium(2+));2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide (PubChem CID 159940246) has the molecular formula C142H101N17O6P2Pd4 and a molecular weight of 2629.11 g/mol. Its IUPAC name is [[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-(3-pyrazol-1-yl-4H-furo[2,3-b]furan-4-id-5-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;9-[9-[1-(1-methylimidazol-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;palladium;tris(palladium(2+));2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide.

Molecular Properties

• Compound Name: [[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-(3-pyrazol-1-yl-4H-furo[2,3-b]furan-4-id-5-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;9-[9-[1-(1-methylimidazol-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;palladium;tris(palladium(2+));2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide
• PubChem CID: 159940246
• Molecular Formula: C142H101N17O6P2Pd4
• Molecular Weight: 2629.11 g/mol
• Exact Mass: 2625.37
• IUPAC Name: [[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-(3-pyrazol-1-yl-4H-furo[2,3-b]furan-4-id-5-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;9-[9-[1-(1-methylimidazol-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;palladium;tris(palladium(2+));2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide
• SMILES: CCN(O[PH+](c1ccccc1)c1ccccc1)c1[c-]c2c(o1)C(C)C(C)N2c1[c-]c(-c2cccc3c2[n-]c[n+]3C)ccc1.Cn1ccnc1-n1ccc2ccc(-n3c4[c-]c(-n5c6ccccc6c6cccnc65)ccc4c4ccccc43)[c-]c21.[Pd+2].[Pd+2].[Pd+2].[Pd].[c-]1c(-c2cccc3cccnc23)cccc1N1c2[c-]c(-n3c4ccccc4c4cccnc43)ccc2Oc2ccccc21.[c-]1c(O[PH+](c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1[c-]c2c(-n3cccn3)coc2o1
• InChI: InChI=1S/C38H22N4O.C36H33N4O2P.C35H22N6.C33H22N3O3P.4Pd/c1-2-16-32-30(13-1)31-15-8-22-40-38(31)42(32)28-19-20-36-34(24-28)41(33-17-3-4-18-35(33)43-36)27-12-5-10-26(23-27)29-14-6-9-25-11-7-21-39-37(25)29;1-5-39(42-43(29-16-8-6-9-17-29)30-18-10-7-11-19-30)34-23-33-36(41-34)25(2)26(3)40(33)28-15-12-14-27(22-28)31-20-13-21-32-35(31)37-24-38(32)4;1-38-20-18-37-35(38)39-19-16-23-12-13-24(21-32(23)39)40-30-10-4-2-7-26(30)28-15-14-25(22-33(28)40)41-31-11-5-3-8-27(31)29-9-6-17-36-34(29)41;1-4-12-25(13-5-1)36(32-23-30-31(24-37-33(30)38-32)35-21-11-20-34-35)26-14-10-15-27(22-26)39-40(28-16-6-2-7-17-28)29-18-8-3-9-19-29;;;;/h1-22H;6-21,24-26H,5H2,1-4H3;2-20H,1H3;1-21,24H;;;;/q4*-2;;3*+2/p+2
• InChIKey: NAKRLLWADGRNPO-UHFFFAOYSA-P
• XLogP: 31.22
• TPSA: 192.08 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2629.11
LogP ≤ 5	31.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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 [[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-(3-pyrazol-1-yl-4H-furo[2,3-b]furan-4-id-5-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;9-[9-[1-(1-methylimidazol-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;palladium;tris(palladium(2+));2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide?

The IUPAC name of [[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-(3-pyrazol-1-yl-4H-furo[2,3-b]furan-4-id-5-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;9-[9-[1-(1-methylimidazol-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;palladium;tris(palladium(2+));2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide (CID 159940246) is [[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-(3-pyrazol-1-yl-4H-furo[2,3-b]furan-4-id-5-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;9-[9-[1-(1-methylimidazol-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;palladium;tris(palladium(2+));2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide.

What is the SMILES notation for [[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-(3-pyrazol-1-yl-4H-furo[2,3-b]furan-4-id-5-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;9-[9-[1-(1-methylimidazol-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;palladium;tris(palladium(2+));2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide?

The canonical SMILES for [[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-(3-pyrazol-1-yl-4H-furo[2,3-b]furan-4-id-5-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;9-[9-[1-(1-methylimidazol-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;palladium;tris(palladium(2+));2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide is CCN(O[PH+](c1ccccc1)c1ccccc1)c1[c-]c2c(o1)C(C)C(C)N2c1[c-]c(-c2cccc3c2[n-]c[n+]3C)ccc1.Cn1ccnc1-n1ccc2ccc(-n3c4[c-]c(-n5c6ccccc6c6cccnc65)ccc4c4ccccc43)[c-]c21.[Pd+2].[Pd+2].[Pd+2].[Pd].[c-]1c(-c2cccc3cccnc23)cccc1N1c2[c-]c(-n3c4ccccc4c4cccnc43)ccc2Oc2ccccc21.[c-]1c(O[PH+](c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1[c-]c2c(-n3cccn3)coc2o1.

What is the InChIKey of [[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-(3-pyrazol-1-yl-4H-furo[2,3-b]furan-4-id-5-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;9-[9-[1-(1-methylimidazol-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;palladium;tris(palladium(2+));2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide?

The InChIKey is NAKRLLWADGRNPO-UHFFFAOYSA-P. The full InChI is InChI=1S/C38H22N4O.C36H33N4O2P.C35H22N6.C33H22N3O3P.4Pd/c1-2-16-32-30(13-1)31-15-8-22-40-38(31)42(32)28-19-20-36-34(24-28)41(33-17-3-4-18-35(33)43-36)27-12-5-10-26(23-27)29-14-6-9-25-11-7-21-39-37(25)29;1-5-39(42-43(29-16-8-6-9-17-29)30-18-10-7-11-19-30)34-23-33-36(41-34)25(2)26(3)40(33)28-15-12-14-27(22-28)31-20-13-21-32-35(31)37-24-38(32)4;1-38-20-18-37-35(38)39-19-16-23-12-13-24(21-32(23)39)40-30-10-4-2-7-26(30)28-15-14-25(22-33(28)40)41-31-11-5-3-8-27(31)29-9-6-17-36-34(29)41;1-4-12-25(13-5-1)36(32-23-30-31(24-37-33(30)38-32)35-21-11-20-34-35)26-14-10-15-27(22-26)39-40(28-16-6-2-7-17-28)29-18-8-3-9-19-29;;;;/h1-22H;6-21,24-26H,5H2,1-4H3;2-20H,1H3;1-21,24H;;;;/q4*-2;;3*+2/p+2.

What are the key properties of [[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-(3-pyrazol-1-yl-4H-furo[2,3-b]furan-4-id-5-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;9-[9-[1-(1-methylimidazol-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;palladium;tris(palladium(2+));2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide?

[[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-(3-pyrazol-1-yl-4H-furo[2,3-b]furan-4-id-5-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;9-[9-[1-(1-methylimidazol-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;palladium;tris(palladium(2+));2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide has a molecular weight of 2629.11 g/mol, XLogP of 31.22, 22 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [[5,6-dimethyl-4-[3-(1-methylbenzimidazol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-5,6-dihydro-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-(3-pyrazol-1-yl-4H-furo[2,3-b]furan-4-id-5-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;9-[9-[1-(1-methylimidazol-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;palladium;tris(palladium(2+));2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide is sourced from PubChem (CID 159940246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).