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

C53H37F2N5Pt — CID 176642486

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

9-(4-tert-butyl-2-pyridinyl)-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-[difluoro(phenyl)methyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176642486) has the molecular formula C53H37F2N5Pt and a molecular weight of 976.99 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-[difluoro(phenyl)methyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-[difluoro(phenyl)methyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176642486
• Molecular Formula: C53H37F2N5Pt
• Molecular Weight: 976.99 g/mol
• Exact Mass: 976.27
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-[difluoro(phenyl)methyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)ccc3c3cc(C(F)(F)c4ccccc4)ccc32)c1.[Pt+2]
• InChI: InChI=1S/C53H37F2N5.Pt/c1-52(2,3)35-28-29-56-48(32-35)60-45-27-25-36(53(54,55)34-14-6-4-7-15-34)31-43(45)40-26-24-33(30-47(40)60)38-19-13-23-46-50(38)58-51(59(46)37-16-8-5-9-17-37)42-21-12-20-41-39-18-10-11-22-44(39)57-49(41)42;/h4-29,31-32H,1-3H3;/q-2;+2
• InChIKey: VBZIANBVLTVIRC-UHFFFAOYSA-N
• XLogP: 13.35
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	976.99
LogP ≤ 5	13.35
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 9-(4-tert-butyl-2-pyridinyl)-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-[difluoro(phenyl)methyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-[difluoro(phenyl)methyl]-1H-carbazol-1-ide;platinum(2+) (CID 176642486) is 9-(4-tert-butyl-2-pyridinyl)-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-[difluoro(phenyl)methyl]-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-[difluoro(phenyl)methyl]-1H-carbazol-1-ide;platinum(2+) is CC(C)(C)c1ccnc(-n2c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)ccc3c3cc(C(F)(F)c4ccccc4)ccc32)c1.[Pt+2].

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

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

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

9-(4-tert-butyl-2-pyridinyl)-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-[difluoro(phenyl)methyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 976.99 g/mol, XLogP of 13.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-[difluoro(phenyl)methyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176642486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).