3-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum

C64H47N4OPt- — CID 162783685

About 3-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum

3-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum (PubChem CID 162783685) has the molecular formula C64H47N4OPt- and a molecular weight of 1083.19 g/mol. Its IUPAC name is 3-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum.

Molecular Properties

• Compound Name: 3-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum
• PubChem CID: 162783685
• Molecular Formula: C64H47N4OPt-
• Molecular Weight: 1083.19 g/mol
• Exact Mass: 1082.34
• IUPAC Name: 3-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc4c5ccccc5n(-c5ccccc5)c4cc2O)n3-c2ccccc2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C64H47N4O.Pt/c1-64(2,3)49-37-47(36-48(38-49)56-39-46(34-35-65-56)44-32-30-43(31-33-44)42-18-7-4-8-19-42)52-26-17-29-59-62(52)66-63(68(59)57-27-15-13-24-51(57)45-20-9-5-10-21-45)55-40-54-53-25-14-16-28-58(53)67(60(54)41-61(55)69)50-22-11-6-12-23-50;/h4-35,37-41,69H,1-3H3;/q-1
• InChIKey: MHNJKXFAVHOYHG-UHFFFAOYSA-N
• XLogP: 16.32
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1083.19
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum?

The IUPAC name of 3-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum (CID 162783685) is 3-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum.

What is the SMILES notation for 3-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum?

The canonical SMILES for 3-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc4c5ccccc5n(-c5ccccc5)c4cc2O)n3-c2ccccc2-c2ccccc2)c1.[Pt].

What is the InChIKey of 3-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum?

The InChIKey is MHNJKXFAVHOYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N4O.Pt/c1-64(2,3)49-37-47(36-48(38-49)56-39-46(34-35-65-56)44-32-30-43(31-33-44)42-18-7-4-8-19-42)52-26-17-29-59-62(52)66-63(68(59)57-27-15-13-24-51(57)45-20-9-5-10-21-45)55-40-54-53-25-14-16-28-58(53)67(60(54)41-61(55)69)50-22-11-6-12-23-50;/h4-35,37-41,69H,1-3H3;/q-1;.

What are the key properties of 3-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum?

3-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum has a molecular weight of 1083.19 g/mol, XLogP of 16.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-9-phenylcarbazol-2-ol;platinum is sourced from PubChem (CID 162783685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).