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

C76H71N4OPt-3 — CID 168780521

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

6-tert-butyl-2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 168780521) has the molecular formula C76H71N4OPt-3 and a molecular weight of 1251.51 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 168780521
• Molecular Formula: C76H71N4OPt-3
• Molecular Weight: 1251.51 g/mol
• Exact Mass: 1250.53
• IUPAC Name: 6-tert-butyl-2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4cc(C(C)(C)C)c(-c5ccccc5)cn4)cc(C(C)(C)C)c3)c3ccccc32)cc1.[Pt]
• InChI: InChI=1S/C76H71N4O.Pt/c1-73(2,3)55-35-33-52(34-36-55)61-29-22-30-62(54-28-21-27-53(41-54)50-23-15-13-16-24-50)72(61)79-49-78(68-31-19-20-32-69(68)79)58-42-57(75(7,8)9)43-60(45-58)81-59-38-39-63-64-44-56(74(4,5)6)37-40-67(64)80(70(63)46-59)71-47-66(76(10,11)12)65(48-77-71)51-25-17-14-18-26-51;/h13-44,47-49H,1-12H3;/q-3
• InChIKey: AGUGSULSANESLG-UHFFFAOYSA-N
• XLogP: 20.84
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1251.51
LogP ≤ 5	20.84
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-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 6-tert-butyl-2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 168780521) is 6-tert-butyl-2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 6-tert-butyl-2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4cc(C(C)(C)C)c(-c5ccccc5)cn4)cc(C(C)(C)C)c3)c3ccccc32)cc1.[Pt].

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

The InChIKey is AGUGSULSANESLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H71N4O.Pt/c1-73(2,3)55-35-33-52(34-36-55)61-29-22-30-62(54-28-21-27-53(41-54)50-23-15-13-16-24-50)72(61)79-49-78(68-31-19-20-32-69(68)79)58-42-57(75(7,8)9)43-60(45-58)81-59-38-39-63-64-44-56(74(4,5)6)37-40-67(64)80(70(63)46-59)71-47-66(76(10,11)12)65(48-77-71)51-25-17-14-18-26-51;/h13-44,47-49H,1-12H3;/q-3;.

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

6-tert-butyl-2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1251.51 g/mol, XLogP of 20.84, 9 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-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168780521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).