10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum

C51H43N4OPtS-3 — CID 176782494

About 10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum

10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum (PubChem CID 176782494) has the molecular formula C51H43N4OPtS-3 and a molecular weight of 955.08 g/mol. Its IUPAC name is 10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum.

Molecular Properties

• Compound Name: 10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum
• PubChem CID: 176782494
• Molecular Formula: C51H43N4OPtS-3
• Molecular Weight: 955.08 g/mol
• Exact Mass: 954.28
• IUPAC Name: 10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum
• SMILES: Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1N1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccc5sc6ccccc6c5c3n4-c3ccccn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C51H43N4OS.Pt/c1-32-27-33(50(2,3)4)28-40(51(5,6)7)48(32)54-31-53(41-18-9-10-19-42(41)54)34-15-14-16-35(29-34)56-36-22-23-37-38-24-25-45-47(39-17-8-11-20-44(39)57-45)49(38)55(43(37)30-36)46-21-12-13-26-52-46;/h8-28,31H,1-7H3;/q-3
• InChIKey: TZAZHLXNWJRBQL-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 33.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.08
LogP ≤ 5	14.25
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-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum?

The IUPAC name of 10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum (CID 176782494) is 10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum.

What is the SMILES notation for 10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum?

The canonical SMILES for 10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum is Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1N1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccc5sc6ccccc6c5c3n4-c3ccccn3)ccc2)c2ccccc21.[Pt].

What is the InChIKey of 10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum?

The InChIKey is TZAZHLXNWJRBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43N4OS.Pt/c1-32-27-33(50(2,3)4)28-40(51(5,6)7)48(32)54-31-53(41-18-9-10-19-42(41)54)34-15-14-16-35(29-34)56-36-22-23-37-38-24-25-45-47(39-17-8-11-20-44(39)57-45)49(38)55(43(37)30-36)46-21-12-13-26-52-46;/h8-28,31H,1-7H3;/q-3;.

What are the key properties of 10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum?

10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum has a molecular weight of 955.08 g/mol, XLogP of 14.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum is sourced from PubChem (CID 176782494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).