7-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole-3-carbonitrile;benzonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazole-3-carbonitrile;deuteriomethanone;dichloroplatinum;iodomethane;platinum;iodide

C116H94Cl2I2N16O4Pt2-4 — CID 160966014

About 7-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole-3-carbonitrile;benzonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazole-3-carbonitrile;deuteriomethanone;dichloroplatinum;iodomethane;platinum;iodide

7-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole-3-carbonitrile;benzonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazole-3-carbonitrile;deuteriomethanone;dichloroplatinum;iodomethane;platinum;iodide (PubChem CID 160966014) has the molecular formula C116H94Cl2I2N16O4Pt2-4 and a molecular weight of 2492.01 g/mol. Its IUPAC name is 7-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole-3-carbonitrile;benzonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazole-3-carbonitrile;deuteriomethanone;dichloroplatinum;iodomethane;platinum;iodide.

Molecular Properties

• Compound Name: 7-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole-3-carbonitrile;benzonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazole-3-carbonitrile;deuteriomethanone;dichloroplatinum;iodomethane;platinum;iodide
• PubChem CID: 160966014
• Molecular Formula: C116H94Cl2I2N16O4Pt2-4
• Molecular Weight: 2492.01 g/mol
• Exact Mass: 2489.45
• IUPAC Name: 7-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole-3-carbonitrile;benzonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazole-3-carbonitrile;deuteriomethanone;dichloroplatinum;iodomethane;platinum;iodide
• SMILES: CC(C)(C)c1ccnc(-n2c3ccc(C#N)cc3c3ccc(Oc4cccc(-n5cnc6ccccc65)c4)cc32)c1.CI.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C#N)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.C[n+]1cn(-c2cccc(Oc3ccc4c5cc(C#N)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21.Cl[Pt]Cl.N#Cc1ccccc1.[2H][C-]=O.[I-].[Pt]
• InChI: InChI=1S/C36H30N5O.C36H28N5O.C35H27N5O.C7H5N.CH3I.CHO.2ClH.HI.2Pt/c2*1-36(2,3)25-16-17-38-35(19-25)41-31-15-12-24(22-37)18-30(31)29-14-13-28(21-34(29)41)42-27-9-7-8-26(20-27)40-23-39(4)32-10-5-6-11-33(32)40;1-35(2,3)24-15-16-37-34(18-24)40-31-14-11-23(21-36)17-29(31)28-13-12-27(20-33(28)40)41-26-8-6-7-25(19-26)39-22-38-30-9-4-5-10-32(30)39;8-6-7-4-2-1-3-5-7;2*1-2;;;;;/h5-21,23H,1-4H3;5-19,23H,1-4H3;4-20,22H,1-3H3;1-5H;1H3;1H;3*1H;;/q+1;-3;;;;-1;;;;;+2/p-3/i;;;;;1D
• InChIKey: PCYFMVKSPHRKNB-BBEAXDHJSA-K
• XLogP: 25.55
• TPSA: 226.49 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2492.01
LogP ≤ 5	25.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole-3-carbonitrile;benzonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazole-3-carbonitrile;deuteriomethanone;dichloroplatinum;iodomethane;platinum;iodide?

The IUPAC name of 7-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole-3-carbonitrile;benzonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazole-3-carbonitrile;deuteriomethanone;dichloroplatinum;iodomethane;platinum;iodide (CID 160966014) is 7-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole-3-carbonitrile;benzonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazole-3-carbonitrile;deuteriomethanone;dichloroplatinum;iodomethane;platinum;iodide.

What is the SMILES notation for 7-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole-3-carbonitrile;benzonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazole-3-carbonitrile;deuteriomethanone;dichloroplatinum;iodomethane;platinum;iodide?

The canonical SMILES for 7-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole-3-carbonitrile;benzonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazole-3-carbonitrile;deuteriomethanone;dichloroplatinum;iodomethane;platinum;iodide is CC(C)(C)c1ccnc(-n2c3ccc(C#N)cc3c3ccc(Oc4cccc(-n5cnc6ccccc65)c4)cc32)c1.CI.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C#N)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.C[n+]1cn(-c2cccc(Oc3ccc4c5cc(C#N)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21.Cl[Pt]Cl.N#Cc1ccccc1.[2H][C-]=O.[I-].[Pt].

What is the InChIKey of 7-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole-3-carbonitrile;benzonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazole-3-carbonitrile;deuteriomethanone;dichloroplatinum;iodomethane;platinum;iodide?

The InChIKey is PCYFMVKSPHRKNB-BBEAXDHJSA-K. The full InChI is InChI=1S/C36H30N5O.C36H28N5O.C35H27N5O.C7H5N.CH3I.CHO.2ClH.HI.2Pt/c2*1-36(2,3)25-16-17-38-35(19-25)41-31-15-12-24(22-37)18-30(31)29-14-13-28(21-34(29)41)42-27-9-7-8-26(20-27)40-23-39(4)32-10-5-6-11-33(32)40;1-35(2,3)24-15-16-37-34(18-24)40-31-14-11-23(21-36)17-29(31)28-13-12-27(20-33(28)40)41-26-8-6-7-25(19-26)39-22-38-30-9-4-5-10-32(30)39;8-6-7-4-2-1-3-5-7;2*1-2;;;;;/h5-21,23H,1-4H3;5-19,23H,1-4H3;4-20,22H,1-3H3;1-5H;1H3;1H;3*1H;;/q+1;-3;;;;-1;;;;;+2/p-3/i;;;;;1D;;;;;.

What are the key properties of 7-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole-3-carbonitrile;benzonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazole-3-carbonitrile;deuteriomethanone;dichloroplatinum;iodomethane;platinum;iodide?

7-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole-3-carbonitrile;benzonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazole-3-carbonitrile;deuteriomethanone;dichloroplatinum;iodomethane;platinum;iodide has a molecular weight of 2492.01 g/mol, XLogP of 25.55, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole-3-carbonitrile;benzonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazole-3-carbonitrile;deuteriomethanone;dichloroplatinum;iodomethane;platinum;iodide is sourced from PubChem (CID 160966014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).