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-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C68H55N4OPt-3 — CID 168780428

About 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-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

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-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 168780428) has the molecular formula C68H55N4OPt-3 and a molecular weight of 1139.29 g/mol. Its IUPAC name is 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-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 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-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 168780428
• Molecular Formula: C68H55N4OPt-3
• Molecular Weight: 1139.29 g/mol
• Exact Mass: 1138.40
• IUPAC Name: 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-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)c4ccccc4n5-c4cc(C(C)(C)C)c(-c5ccccc5)cn4)ccc3)c3ccccc32)cc1.[Pt]
• InChI: InChI=1S/C68H55N4O.Pt/c1-67(2,3)51-36-34-48(35-37-51)55-29-19-30-56(50-25-17-24-49(40-50)46-20-9-7-10-21-46)66(55)71-45-70(62-32-15-16-33-63(62)71)52-26-18-27-53(41-52)73-54-38-39-58-57-28-13-14-31-61(57)72(64(58)42-54)65-43-60(68(4,5)6)59(44-69-65)47-22-11-8-12-23-47;/h7-40,43-45H,1-6H3;/q-3
• InChIKey: WBYQUUNARNNJRQ-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1139.29
LogP ≤ 5	18.24
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 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-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 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-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 168780428) is 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-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 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-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 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-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)c4ccccc4n5-c4cc(C(C)(C)C)c(-c5ccccc5)cn4)ccc3)c3ccccc32)cc1.[Pt].

What is the InChIKey of 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-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is WBYQUUNARNNJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H55N4O.Pt/c1-67(2,3)51-36-34-48(35-37-51)55-29-19-30-56(50-25-17-24-49(40-50)46-20-9-7-10-21-46)66(55)71-45-70(62-32-15-16-33-63(62)71)52-26-18-27-53(41-52)73-54-38-39-58-57-28-13-14-31-61(57)72(64(58)42-54)65-43-60(68(4,5)6)59(44-69-65)47-22-11-8-12-23-47;/h7-40,43-45H,1-6H3;/q-3;.

What are the key properties of 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-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

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-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1139.29 g/mol, XLogP of 18.24, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 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-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168780428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).