10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-dimethyl-2,4,6-triphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum

C62H47N4OPtS-3 — CID 168857421

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

10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-dimethyl-2,4,6-triphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum (PubChem CID 168857421) has the molecular formula C62H47N4OPtS-3 and a molecular weight of 1091.23 g/mol. Its IUPAC name is 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-dimethyl-2,4,6-triphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-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-(3,5-dimethyl-2,4,6-triphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum
• PubChem CID: 168857421
• Molecular Formula: C62H47N4OPtS-3
• Molecular Weight: 1091.23 g/mol
• Exact Mass: 1090.31
• IUPAC Name: 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-dimethyl-2,4,6-triphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum
• SMILES: Cc1c(-c2ccccc2)c(C)c(-c2ccccc2)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4sc6ccccc6c4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c1-c1ccccc1.[Pt]
• InChI: InChI=1S/C62H47N4OS.Pt/c1-40-56(42-20-9-6-10-21-42)41(2)58(44-24-13-8-14-25-44)60(57(40)43-22-11-7-12-23-43)65-39-64(51-29-16-17-30-52(51)65)46-26-19-27-47(37-46)67-48-32-33-49-53(38-48)66(55-36-45(34-35-63-55)62(3,4)5)59-50-28-15-18-31-54(50)68-61(49)59;/h6-36,39H,1-5H3;/q-3
• InChIKey: CIKZXQNMQRPWDK-UHFFFAOYSA-N
• XLogP: 17.11
• TPSA: 33.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.23
LogP ≤ 5	17.11
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-(3,5-dimethyl-2,4,6-triphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-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-(3,5-dimethyl-2,4,6-triphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum (CID 168857421) is 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-dimethyl-2,4,6-triphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-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-(3,5-dimethyl-2,4,6-triphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-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-(3,5-dimethyl-2,4,6-triphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum is Cc1c(-c2ccccc2)c(C)c(-c2ccccc2)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4sc6ccccc6c4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c1-c1ccccc1.[Pt].

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

The InChIKey is CIKZXQNMQRPWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47N4OS.Pt/c1-40-56(42-20-9-6-10-21-42)41(2)58(44-24-13-8-14-25-44)60(57(40)43-22-11-7-12-23-43)65-39-64(51-29-16-17-30-52(51)65)46-26-19-27-47(37-46)67-48-32-33-49-53(38-48)66(55-36-45(34-35-63-55)62(3,4)5)59-50-28-15-18-31-54(50)68-61(49)59;/h6-36,39H,1-5H3;/q-3;.

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

10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-dimethyl-2,4,6-triphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum has a molecular weight of 1091.23 g/mol, XLogP of 17.11, 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-(3,5-dimethyl-2,4,6-triphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum is sourced from PubChem (CID 168857421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).