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

C48H43N4OPtS-3 — CID 168857601

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

2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4,5-dimethyl-2-pyridinyl)-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum (PubChem CID 168857601) has the molecular formula C48H43N4OPtS-3 and a molecular weight of 919.04 g/mol. Its IUPAC name is 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4,5-dimethyl-2-pyridinyl)-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4,5-dimethyl-2-pyridinyl)-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum
• PubChem CID: 168857601
• Molecular Formula: C48H43N4OPtS-3
• Molecular Weight: 919.04 g/mol
• Exact Mass: 918.28
• IUPAC Name: 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4,5-dimethyl-2-pyridinyl)-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum
• SMILES: Cc1cnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4)ccc3c3sc4ccccc4c32)cc1C.[Pt]
• InChI: InChI=1S/C48H43N4OS.Pt/c1-30-22-44(49-28-31(30)2)52-42-27-37(20-21-38(42)46-45(52)39-16-9-12-19-43(39)54-46)53-36-15-13-14-34(26-36)50-29-51(41-18-11-10-17-40(41)50)35-24-32(47(3,4)5)23-33(25-35)48(6,7)8;/h9-25,28-29H,1-8H3;/q-3
• InChIKey: QVAFYBUEPZRHSP-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 33.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.04
LogP ≤ 5	13.40
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 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4,5-dimethyl-2-pyridinyl)-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4,5-dimethyl-2-pyridinyl)-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum (CID 168857601) is 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4,5-dimethyl-2-pyridinyl)-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4,5-dimethyl-2-pyridinyl)-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum is Cc1cnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4)ccc3c3sc4ccccc4c32)cc1C.[Pt].

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

The InChIKey is QVAFYBUEPZRHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H43N4OS.Pt/c1-30-22-44(49-28-31(30)2)52-42-27-37(20-21-38(42)46-45(52)39-16-9-12-19-43(39)54-46)53-36-15-13-14-34(26-36)50-29-51(41-18-11-10-17-40(41)50)35-24-32(47(3,4)5)23-33(25-35)48(6,7)8;/h9-25,28-29H,1-8H3;/q-3;.

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

2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4,5-dimethyl-2-pyridinyl)-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum has a molecular weight of 919.04 g/mol, XLogP of 13.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4,5-dimethyl-2-pyridinyl)-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum is sourced from PubChem (CID 168857601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).