2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-8-methyl-6-(trifluoromethyl)-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

C53H36F3N5Pt — CID 176643000

About 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-8-methyl-6-(trifluoromethyl)-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-8-methyl-6-(trifluoromethyl)-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176643000) has the molecular formula C53H36F3N5Pt and a molecular weight of 994.98 g/mol. Its IUPAC name is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-8-methyl-6-(trifluoromethyl)-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-8-methyl-6-(trifluoromethyl)-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176643000
• Molecular Formula: C53H36F3N5Pt
• Molecular Weight: 994.98 g/mol
• Exact Mass: 994.26
• IUPAC Name: 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-8-methyl-6-(trifluoromethyl)-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(C)c(-c2ccnc(-n3c4[c-]c(-c5cccc6c5nc(-c5cccc7c5[n-]c5ccccc57)n6-c5ccccc5)ccc4c4cc(C(F)(F)F)cc(C)c43)c2)c(C)c1.[Pt+2]
• InChI: InChI=1S/C53H36F3N5.Pt/c1-30-24-31(2)48(32(3)25-30)35-22-23-57-47(28-35)61-46-27-34(20-21-40(46)43-29-36(53(54,55)56)26-33(4)51(43)61)38-15-11-19-45-50(38)59-52(60(45)37-12-6-5-7-13-37)42-17-10-16-41-39-14-8-9-18-44(39)58-49(41)42;/h5-26,28-29H,1-4H3;/q-2;+2
• InChIKey: ZSROHAXUQIHBMJ-UHFFFAOYSA-N
• XLogP: 13.83
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	994.98
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-8-methyl-6-(trifluoromethyl)-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-8-methyl-6-(trifluoromethyl)-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 176643000) is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-8-methyl-6-(trifluoromethyl)-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-8-methyl-6-(trifluoromethyl)-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-8-methyl-6-(trifluoromethyl)-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is Cc1cc(C)c(-c2ccnc(-n3c4[c-]c(-c5cccc6c5nc(-c5cccc7c5[n-]c5ccccc57)n6-c5ccccc5)ccc4c4cc(C(F)(F)F)cc(C)c43)c2)c(C)c1.[Pt+2].

What is the InChIKey of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-8-methyl-6-(trifluoromethyl)-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is ZSROHAXUQIHBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36F3N5.Pt/c1-30-24-31(2)48(32(3)25-30)35-22-23-57-47(28-35)61-46-27-34(20-21-40(46)43-29-36(53(54,55)56)26-33(4)51(43)61)38-15-11-19-45-50(38)59-52(60(45)37-12-6-5-7-13-37)42-17-10-16-41-39-14-8-9-18-44(39)58-49(41)42;/h5-26,28-29H,1-4H3;/q-2;+2.

What are the key properties of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-8-methyl-6-(trifluoromethyl)-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-8-methyl-6-(trifluoromethyl)-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 994.98 g/mol, XLogP of 13.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-8-methyl-6-(trifluoromethyl)-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176643000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).