2-[2-(6-tert-butyl-4-phenylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-7-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)

C61H47N5Pt — CID 176642837

About 2-[2-(6-tert-butyl-4-phenylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-7-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)

2-[2-(6-tert-butyl-4-phenylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-7-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176642837) has the molecular formula C61H47N5Pt and a molecular weight of 1045.16 g/mol. Its IUPAC name is 2-[2-(6-tert-butyl-4-phenylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-7-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[2-(6-tert-butyl-4-phenylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-7-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176642837
• Molecular Formula: C61H47N5Pt
• Molecular Weight: 1045.16 g/mol
• Exact Mass: 1044.35
• IUPAC Name: 2-[2-(6-tert-butyl-4-phenylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-7-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(C)c(-c2ccc3c4ccc(-c5cccc6c5nc(-c5ccc(-c7ccccc7)c7c5[n-]c5ccc(C(C)(C)C)cc57)n6-c5ccccc5)[c-]c4n(-c4ccccn4)c3c2)c(C)c1.[Pt+2]
• InChI: InChI=1S/C61H47N5.Pt/c1-37-32-38(2)56(39(3)33-37)42-24-27-48-47-26-23-41(34-53(47)66(54(48)35-42)55-22-13-14-31-62-55)46-20-15-21-52-58(46)64-60(65(52)44-18-11-8-12-19-44)49-29-28-45(40-16-9-7-10-17-40)57-50-36-43(61(4,5)6)25-30-51(50)63-59(49)57;/h7-33,35-36H,1-6H3;/q-2;+2
• InChIKey: SXYHYUXBDYJSCD-UHFFFAOYSA-N
• XLogP: 15.47
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1045.16
LogP ≤ 5	15.47
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-(6-tert-butyl-4-phenylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-7-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[2-(6-tert-butyl-4-phenylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-7-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+) (CID 176642837) is 2-[2-(6-tert-butyl-4-phenylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-7-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[2-(6-tert-butyl-4-phenylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-7-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[2-(6-tert-butyl-4-phenylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-7-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+) is Cc1cc(C)c(-c2ccc3c4ccc(-c5cccc6c5nc(-c5ccc(-c7ccccc7)c7c5[n-]c5ccc(C(C)(C)C)cc57)n6-c5ccccc5)[c-]c4n(-c4ccccn4)c3c2)c(C)c1.[Pt+2].

What is the InChIKey of 2-[2-(6-tert-butyl-4-phenylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-7-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is SXYHYUXBDYJSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47N5.Pt/c1-37-32-38(2)56(39(3)33-37)42-24-27-48-47-26-23-41(34-53(47)66(54(48)35-42)55-22-13-14-31-62-55)46-20-15-21-52-58(46)64-60(65(52)44-18-11-8-12-19-44)49-29-28-45(40-16-9-7-10-17-40)57-50-36-43(61(4,5)6)25-30-51(50)63-59(49)57;/h7-33,35-36H,1-6H3;/q-2;+2.

What are the key properties of 2-[2-(6-tert-butyl-4-phenylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-7-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)?

2-[2-(6-tert-butyl-4-phenylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-7-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1045.16 g/mol, XLogP of 15.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(6-tert-butyl-4-phenylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-7-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176642837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).