10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum

C68H59N4OPtS-3 — CID 168857781

About 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum

10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum (PubChem CID 168857781) has the molecular formula C68H59N4OPtS-3 and a molecular weight of 1175.39 g/mol. Its IUPAC name is 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum.

Molecular Properties

• Compound Name: 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum
• PubChem CID: 168857781
• Molecular Formula: C68H59N4OPtS-3
• Molecular Weight: 1175.39 g/mol
• Exact Mass: 1174.41
• IUPAC Name: 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(-c2cccc(-c3ccccc3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4sc6ccccc6c4n5-c4cc(C(C)(C)C)ccn4)cc(-c4ccccc4)c3)c3ccccc32)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C68H59N4OS.Pt/c1-66(2,3)48-33-34-69-62(40-48)72-60-42-52(31-32-56(60)65-64(72)57-25-16-19-30-61(57)74-65)73-53-38-46(44-21-12-10-13-22-44)37-51(41-53)70-43-71(59-29-18-17-28-58(59)70)63-54(45-23-14-11-15-24-45)26-20-27-55(63)47-35-49(67(4,5)6)39-50(36-47)68(7,8)9;/h10-40,43H,1-9H3;/q-3
• InChIKey: MBRFELQPJZPPMT-UHFFFAOYSA-N
• XLogP: 19.09
• TPSA: 33.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1175.39
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum?

The IUPAC name of 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum (CID 168857781) is 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum.

What is the SMILES notation for 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum?

The canonical SMILES for 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum is CC(C)(C)c1cc(-c2cccc(-c3ccccc3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4sc6ccccc6c4n5-c4cc(C(C)(C)C)ccn4)cc(-c4ccccc4)c3)c3ccccc32)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum?

The InChIKey is MBRFELQPJZPPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H59N4OS.Pt/c1-66(2,3)48-33-34-69-62(40-48)72-60-42-52(31-32-56(60)65-64(72)57-25-16-19-30-61(57)74-65)73-53-38-46(44-21-12-10-13-22-44)37-51(41-53)70-43-71(59-29-18-17-28-58(59)70)63-54(45-23-14-11-15-24-45)26-20-27-55(63)47-35-49(67(4,5)6)39-50(36-47)68(7,8)9;/h10-40,43H,1-9H3;/q-3;.

What are the key properties of 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum?

10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum has a molecular weight of 1175.39 g/mol, XLogP of 19.09, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum is sourced from PubChem (CID 168857781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).