9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C51H45N4OPt-3 — CID 176783666

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176783666) has the molecular formula C51H45N4OPt-3 and a molecular weight of 925.03 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 176783666
• Molecular Formula: C51H45N4OPt-3
• Molecular Weight: 925.03 g/mol
• Exact Mass: 924.33
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(C)c(-c2cc(C)c(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c(C)c2)c(C)c1.[Pt]
• InChI: InChI=1S/C51H45N4O.Pt/c1-32-24-33(2)49(34(3)25-32)37-26-35(4)50(36(5)27-37)54-31-53(45-18-11-12-19-46(45)54)39-14-13-15-40(29-39)56-41-20-21-43-42-16-9-10-17-44(42)55(47(43)30-41)48-28-38(22-23-52-48)51(6,7)8;/h9-28,31H,1-8H3;/q-3
• InChIKey: AXZZCJLQIHOLME-UHFFFAOYSA-N
• XLogP: 13.48
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.03
LogP ≤ 5	13.48
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176783666) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is Cc1cc(C)c(-c2cc(C)c(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c(C)c2)c(C)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is AXZZCJLQIHOLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45N4O.Pt/c1-32-24-33(2)49(34(3)25-32)37-26-35(4)50(36(5)27-37)54-31-53(45-18-11-12-19-46(45)54)39-14-13-15-40(29-39)56-41-20-21-43-42-16-9-10-17-44(42)55(47(43)30-41)48-28-38(22-23-52-48)51(6,7)8;/h9-28,31H,1-8H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 925.03 g/mol, XLogP of 13.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176783666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).