10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;tris(palladium);bis(palladium(2+));10-(12H-phenanthro[10,9-b]pyridin-12-id-11-yloxy)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-(12H-phenanthro[10,9-b]pyridin-12-id-11-ylsulfanyl)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide

C217H134N23O2Pd5S3-9 — CID 161147000

About 10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;tris(palladium);bis(palladium(2+));10-(12H-phenanthro[10,9-b]pyridin-12-id-11-yloxy)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-(12H-phenanthro[10,9-b]pyridin-12-id-11-ylsulfanyl)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide

10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;tris(palladium);bis(palladium(2+));10-(12H-phenanthro[10,9-b]pyridin-12-id-11-yloxy)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-(12H-phenanthro[10,9-b]pyridin-12-id-11-ylsulfanyl)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide (PubChem CID 161147000) has the molecular formula C217H134N23O2Pd5S3-9 and a molecular weight of 3723.92 g/mol. Its IUPAC name is 10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;tris(palladium);bis(palladium(2+));10-(12H-phenanthro[10,9-b]pyridin-12-id-11-yloxy)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-(12H-phenanthro[10,9-b]pyridin-12-id-11-ylsulfanyl)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide.

Molecular Properties

• Compound Name: 10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;tris(palladium);bis(palladium(2+));10-(12H-phenanthro[10,9-b]pyridin-12-id-11-yloxy)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-(12H-phenanthro[10,9-b]pyridin-12-id-11-ylsulfanyl)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide
• PubChem CID: 161147000
• Molecular Formula: C217H134N23O2Pd5S3-9
• Molecular Weight: 3723.92 g/mol
• Exact Mass: 3718.55
• IUPAC Name: 10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;tris(palladium);bis(palladium(2+));10-(12H-phenanthro[10,9-b]pyridin-12-id-11-yloxy)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-(12H-phenanthro[10,9-b]pyridin-12-id-11-ylsulfanyl)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide
• SMILES: CN1C=CN(c2[c-]c(Sc3[c-]c4c(cc3)c3ccc5c(c6ccccc6n5-c5ccccc5)c3n4-c3ccccn3)ccc2)[CH-]1.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccc5c(c6ccccc6n5-c5ccccc5)c3n4-c3ccccn3)ccc2)c2ccccc21.CN1[CH-]N(c2[c-]c(Sc3[c-]c4c(cc3)c3ccc5c(c6ccccc6n5-c5ccccc5)c3n4-c3ccccn3)ccc2)c2ccccc21.[Pd+2].[Pd+2].[Pd].[Pd].[Pd].[c-]1c(Oc2[c-]c3c(cc2)c2ccc4c(c5ccccc5n4-c4ccccc4)c2n3-c2ccccn2)ccc2c1c1ncccc1c1ccccc21.[c-]1c(Sc2[c-]c3c(cc2)c2ccc4c(c5ccccc5n4-c4ccccc4)c2n3-c2ccccn2)ccc2c1c1ncccc1c1ccccc21
• InChI: InChI=1S/C46H26N4O.C46H26N4S.C43H28N5O.C43H28N5S.C39H26N5S.5Pd/c2*1-2-11-29(12-3-1)49-40-17-7-6-15-38(40)44-41(49)24-23-37-35-22-20-31(28-42(35)50(46(37)44)43-18-8-9-25-47-43)51-30-19-21-34-32-13-4-5-14-33(32)36-16-10-26-48-45(36)39(34)27-30;2*1-45-28-46(38-19-8-7-18-37(38)45)30-14-11-15-31(26-30)49-32-21-22-33-34-23-24-39-42(43(34)48(40(33)27-32)41-20-9-10-25-44-41)35-16-5-6-17-36(35)47(39)29-12-3-2-4-13-29;1-41-22-23-42(26-41)28-12-9-13-29(24-28)45-30-17-18-31-32-19-20-35-38(39(32)44(36(31)25-30)37-16-7-8-21-40-37)33-14-5-6-15-34(33)43(35)27-10-3-2-4-11-27;;;;;/h2*1-26H;2*2-25,28H,1H3;2-23,26H,1H3;;;;;/q2*-2;3*-3;;;;2*+2
• InChIKey: BOJUQJCAOCCRKV-UHFFFAOYSA-N
• XLogP: 53.87
• TPSA: 177.43 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3723.92
LogP ≤ 5	53.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;tris(palladium);bis(palladium(2+));10-(12H-phenanthro[10,9-b]pyridin-12-id-11-yloxy)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-(12H-phenanthro[10,9-b]pyridin-12-id-11-ylsulfanyl)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide?

The IUPAC name of 10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;tris(palladium);bis(palladium(2+));10-(12H-phenanthro[10,9-b]pyridin-12-id-11-yloxy)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-(12H-phenanthro[10,9-b]pyridin-12-id-11-ylsulfanyl)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide (CID 161147000) is 10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;tris(palladium);bis(palladium(2+));10-(12H-phenanthro[10,9-b]pyridin-12-id-11-yloxy)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-(12H-phenanthro[10,9-b]pyridin-12-id-11-ylsulfanyl)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide.

What is the SMILES notation for 10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;tris(palladium);bis(palladium(2+));10-(12H-phenanthro[10,9-b]pyridin-12-id-11-yloxy)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-(12H-phenanthro[10,9-b]pyridin-12-id-11-ylsulfanyl)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide?

The canonical SMILES for 10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;tris(palladium);bis(palladium(2+));10-(12H-phenanthro[10,9-b]pyridin-12-id-11-yloxy)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-(12H-phenanthro[10,9-b]pyridin-12-id-11-ylsulfanyl)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide is CN1C=CN(c2[c-]c(Sc3[c-]c4c(cc3)c3ccc5c(c6ccccc6n5-c5ccccc5)c3n4-c3ccccn3)ccc2)[CH-]1.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccc5c(c6ccccc6n5-c5ccccc5)c3n4-c3ccccn3)ccc2)c2ccccc21.CN1[CH-]N(c2[c-]c(Sc3[c-]c4c(cc3)c3ccc5c(c6ccccc6n5-c5ccccc5)c3n4-c3ccccn3)ccc2)c2ccccc21.[Pd+2].[Pd+2].[Pd].[Pd].[Pd].[c-]1c(Oc2[c-]c3c(cc2)c2ccc4c(c5ccccc5n4-c4ccccc4)c2n3-c2ccccn2)ccc2c1c1ncccc1c1ccccc21.[c-]1c(Sc2[c-]c3c(cc2)c2ccc4c(c5ccccc5n4-c4ccccc4)c2n3-c2ccccn2)ccc2c1c1ncccc1c1ccccc21.

What is the InChIKey of 10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;tris(palladium);bis(palladium(2+));10-(12H-phenanthro[10,9-b]pyridin-12-id-11-yloxy)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-(12H-phenanthro[10,9-b]pyridin-12-id-11-ylsulfanyl)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide?

The InChIKey is BOJUQJCAOCCRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4O.C46H26N4S.C43H28N5O.C43H28N5S.C39H26N5S.5Pd/c2*1-2-11-29(12-3-1)49-40-17-7-6-15-38(40)44-41(49)24-23-37-35-22-20-31(28-42(35)50(46(37)44)43-18-8-9-25-47-43)51-30-19-21-34-32-13-4-5-14-33(32)36-16-10-26-48-45(36)39(34)27-30;2*1-45-28-46(38-19-8-7-18-37(38)45)30-14-11-15-31(26-30)49-32-21-22-33-34-23-24-39-42(43(34)48(40(33)27-32)41-20-9-10-25-44-41)35-16-5-6-17-36(35)47(39)29-12-3-2-4-13-29;1-41-22-23-42(26-41)28-12-9-13-29(24-28)45-30-17-18-31-32-19-20-35-38(39(32)44(36(31)25-30)37-16-7-8-21-40-37)33-14-5-6-15-34(33)43(35)27-10-3-2-4-11-27;;;;;/h2*1-26H;2*2-25,28H,1H3;2-23,26H,1H3;;;;;/q2*-2;3*-3;;;;2*+2.

What are the key properties of 10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;tris(palladium);bis(palladium(2+));10-(12H-phenanthro[10,9-b]pyridin-12-id-11-yloxy)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-(12H-phenanthro[10,9-b]pyridin-12-id-11-ylsulfanyl)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide?

10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;tris(palladium);bis(palladium(2+));10-(12H-phenanthro[10,9-b]pyridin-12-id-11-yloxy)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-(12H-phenanthro[10,9-b]pyridin-12-id-11-ylsulfanyl)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide has a molecular weight of 3723.92 g/mol, XLogP of 53.87, 23 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanyl-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;tris(palladium);bis(palladium(2+));10-(12H-phenanthro[10,9-b]pyridin-12-id-11-yloxy)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide;10-(12H-phenanthro[10,9-b]pyridin-12-id-11-ylsulfanyl)-5-phenyl-12-pyridin-2-yl-11H-indolo[3,2-c]carbazol-11-ide is sourced from PubChem (CID 161147000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).