6-tert-butyl-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C64H55N4OPt-3 — CID 168780215

About 6-tert-butyl-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

6-tert-butyl-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 168780215) has the molecular formula C64H55N4OPt-3 and a molecular weight of 1091.25 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 168780215
• Molecular Formula: C64H55N4OPt-3
• Molecular Weight: 1091.25 g/mol
• Exact Mass: 1090.40
• IUPAC Name: 6-tert-butyl-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: Cc1ccc(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7c(-c8ccccc8)cccc7-c7ccc(C(C)(C)C)cc7)c7ccccc76)ccc5)ccc4c4cc(C(C)(C)C)ccc43)cc2C)cc1.[Pt]
• InChI: InChI=1S/C64H55N4O.Pt/c1-42-24-26-46(27-25-42)56-40-65-61(36-43(56)2)68-57-35-32-48(64(6,7)8)37-55(57)54-34-33-51(39-60(54)68)69-50-19-14-18-49(38-50)66-41-67(59-23-13-12-22-58(59)66)62-52(44-16-10-9-11-17-44)20-15-21-53(62)45-28-30-47(31-29-45)63(3,4)5;/h9-37,40-41H,1-8H3;/q-3
• InChIKey: GCZAUBFQKNNIDR-UHFFFAOYSA-N
• XLogP: 17.19
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.25
LogP ≤ 5	17.19
H-Bond Donors ≤ 5	0
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 6-tert-butyl-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 6-tert-butyl-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 168780215) is 6-tert-butyl-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 6-tert-butyl-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 6-tert-butyl-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is Cc1ccc(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7c(-c8ccccc8)cccc7-c7ccc(C(C)(C)C)cc7)c7ccccc76)ccc5)ccc4c4cc(C(C)(C)C)ccc43)cc2C)cc1.[Pt].

What is the InChIKey of 6-tert-butyl-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is GCZAUBFQKNNIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H55N4O.Pt/c1-42-24-26-46(27-25-42)56-40-65-61(36-43(56)2)68-57-35-32-48(64(6,7)8)37-55(57)54-34-33-51(39-60(54)68)69-50-19-14-18-49(38-50)66-41-67(59-23-13-12-22-58(59)66)62-52(44-16-10-9-11-17-44)20-15-21-53(62)45-28-30-47(31-29-45)63(3,4)5;/h9-37,40-41H,1-8H3;/q-3;.

What are the key properties of 6-tert-butyl-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

6-tert-butyl-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1091.25 g/mol, XLogP of 17.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168780215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).