2-[3-tert-butyl-5-[3-(3-isocyano-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C51H42N5OPt-3 — CID 155651273

About 2-[3-tert-butyl-5-[3-(3-isocyano-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-tert-butyl-5-[3-(3-isocyano-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 155651273) has the molecular formula C51H42N5OPt-3 and a molecular weight of 936.01 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(3-isocyano-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-(3-isocyano-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 155651273
• Molecular Formula: C51H42N5OPt-3
• Molecular Weight: 936.01 g/mol
• Exact Mass: 935.31
• IUPAC Name: 2-[3-tert-butyl-5-[3-(3-isocyano-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: [C-]#[N+]c1cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)ccc1-c1ccccc1.[Pt]
• InChI: InChI=1S/C51H42N5O.Pt/c1-50(2,3)35-25-26-53-49(29-35)56-45-18-12-11-17-42(45)43-24-22-39(32-48(43)56)57-40-28-36(51(4,5)6)27-38(30-40)55-33-54(46-19-13-14-20-47(46)55)37-21-23-41(44(31-37)52-7)34-15-9-8-10-16-34;/h8-29,31,33H,1-6H3;/q-3
• InChIKey: ZKENVRODHFMQQO-UHFFFAOYSA-N
• XLogP: 13.79
• TPSA: 37.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.01
LogP ≤ 5	13.79
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 2-[3-tert-butyl-5-[3-(3-isocyano-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[3-(3-isocyano-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 155651273) is 2-[3-tert-butyl-5-[3-(3-isocyano-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-tert-butyl-5-[3-(3-isocyano-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-tert-butyl-5-[3-(3-isocyano-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is [C-]#[N+]c1cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)ccc1-c1ccccc1.[Pt].

What is the InChIKey of 2-[3-tert-butyl-5-[3-(3-isocyano-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is ZKENVRODHFMQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N5O.Pt/c1-50(2,3)35-25-26-53-49(29-35)56-45-18-12-11-17-42(45)43-24-22-39(32-48(43)56)57-40-28-36(51(4,5)6)27-38(30-40)55-33-54(46-19-13-14-20-47(46)55)37-21-23-41(44(31-37)52-7)34-15-9-8-10-16-34;/h8-29,31,33H,1-6H3;/q-3;.

What are the key properties of 2-[3-tert-butyl-5-[3-(3-isocyano-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[3-tert-butyl-5-[3-(3-isocyano-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 936.01 g/mol, XLogP of 13.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-(3-isocyano-4-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155651273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).