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

C75H61N4OPt-3 — CID 168780404

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

4-(4-tert-butylphenyl)-2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 168780404) has the molecular formula C75H61N4OPt-3 and a molecular weight of 1229.42 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 4-(4-tert-butylphenyl)-2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 168780404
• Molecular Formula: C75H61N4OPt-3
• Molecular Weight: 1229.42 g/mol
• Exact Mass: 1228.45
• IUPAC Name: 4-(4-tert-butylphenyl)-2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccc(C(C)(C)C)cc7)cccc6-c6cccc(-c7ccccc7)c6)c6ccccc65)ccc4)cc(-c4ccc(C(C)(C)C)cc4)c3c3ccccc32)ncc1-c1ccccc1.[Pt]
• InChI: InChI=1S/C75H61N4O.Pt/c1-50-43-71(76-48-66(50)52-23-12-9-13-24-52)79-67-32-15-14-29-64(67)72-65(54-37-41-58(42-38-54)75(5,6)7)46-61(47-70(72)79)80-60-28-19-27-59(45-60)77-49-78(69-34-17-16-33-68(69)77)73-62(53-35-39-57(40-36-53)74(2,3)4)30-20-31-63(73)56-26-18-25-55(44-56)51-21-10-8-11-22-51;/h8-44,46,48-49H,1-7H3;/q-3
• InChIKey: HOBSWTWEVGEDRN-UHFFFAOYSA-N
• XLogP: 20.22
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1229.42
LogP ≤ 5	20.22
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 4-(4-tert-butylphenyl)-2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 4-(4-tert-butylphenyl)-2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 168780404) is 4-(4-tert-butylphenyl)-2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 4-(4-tert-butylphenyl)-2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccc(C(C)(C)C)cc7)cccc6-c6cccc(-c7ccccc7)c6)c6ccccc65)ccc4)cc(-c4ccc(C(C)(C)C)cc4)c3c3ccccc32)ncc1-c1ccccc1.[Pt].

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

The InChIKey is HOBSWTWEVGEDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H61N4O.Pt/c1-50-43-71(76-48-66(50)52-23-12-9-13-24-52)79-67-32-15-14-29-64(67)72-65(54-37-41-58(42-38-54)75(5,6)7)46-61(47-70(72)79)80-60-28-19-27-59(45-60)77-49-78(69-34-17-16-33-68(69)77)73-62(53-35-39-57(40-36-53)74(2,3)4)30-20-31-63(73)56-26-18-25-55(44-56)51-21-10-8-11-22-51;/h8-44,46,48-49H,1-7H3;/q-3;.

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

4-(4-tert-butylphenyl)-2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1229.42 g/mol, XLogP of 20.22, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butylphenyl)-2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168780404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).