2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+)

C53H37F2N5Pt — CID 176643051

About 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+)

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176643051) has the molecular formula C53H37F2N5Pt and a molecular weight of 976.99 g/mol. Its IUPAC name is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176643051
• Molecular Formula: C53H37F2N5Pt
• Molecular Weight: 976.99 g/mol
• Exact Mass: 976.27
• IUPAC Name: 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)ccc3c3cc(C(C)C)c(C(F)(F)c4ccccc4)cc32)c1.[Pt+2]
• InChI: InChI=1S/C53H37F2N5.Pt/c1-32(2)42-30-43-39-25-24-34(29-47(39)60(49-28-33(3)26-27-56-49)48(43)31-44(42)53(54,55)35-14-6-4-7-15-35)37-19-13-23-46-51(37)58-52(59(46)36-16-8-5-9-17-36)41-21-12-20-40-38-18-10-11-22-45(38)57-50(40)41;/h4-28,30-32H,1-3H3;/q-2;+2
• InChIKey: YCJLADPOHWXTDM-UHFFFAOYSA-N
• XLogP: 13.48
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	976.99
LogP ≤ 5	13.48
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)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 176643051) is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)ccc3c3cc(C(C)C)c(C(F)(F)c4ccccc4)cc32)c1.[Pt+2].

What is the InChIKey of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is YCJLADPOHWXTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37F2N5.Pt/c1-32(2)42-30-43-39-25-24-34(29-47(39)60(49-28-33(3)26-27-56-49)48(43)31-44(42)53(54,55)35-14-6-4-7-15-35)37-19-13-23-46-51(37)58-52(59(46)36-16-8-5-9-17-36)41-21-12-20-40-38-18-10-11-22-45(38)57-50(40)41;/h4-28,30-32H,1-3H3;/q-2;+2.

What are the key properties of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+)?

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 976.99 g/mol, XLogP of 13.48, 7 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)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176643051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).