2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-methyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C₃₈H₂₄N₅OPt-3 — CID 155636163

About 2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-methyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-methyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 155636163) has the molecular formula C₃₈H₂₄N₅OPt-3 and a molecular weight of 761.72 g/mol. Its IUPAC name is 2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-methyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-methyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 155636163
• Molecular Formula: C₃₈H₂₄N₅OPt-3
• Molecular Weight: 761.72 g/mol
• Exact Mass: 761.16
• IUPAC Name: 2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-methyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: [C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2cc(C)ccc2n3-c2ccccn2)[c-]c(N2[CH-]N(c3ccccc3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C38H24N5O.Pt/c1-26-15-18-34-33(20-26)32-17-16-30(24-37(32)43(34)38-14-8-9-19-40-38)44-31-22-27(39-2)21-29(23-31)42-25-41(28-10-4-3-5-11-28)35-12-6-7-13-36(35)42;/h3-22,25H,1H3;/q-3
• InChIKey: KWTVHIASPFPHCF-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 37.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.72
LogP ≤ 5	9.84
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-isocyano-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-methyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-methyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 155636163) is 2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-methyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-methyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-methyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is [C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2cc(C)ccc2n3-c2ccccn2)[c-]c(N2[CH-]N(c3ccccc3)c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-methyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is KWTVHIASPFPHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N5O.Pt/c1-26-15-18-34-33(20-26)32-17-16-30(24-37(32)43(34)38-14-8-9-19-40-38)44-31-22-27(39-2)21-29(23-31)42-25-41(28-10-4-3-5-11-28)35-12-6-7-13-36(35)42;/h3-22,25H,1H3;/q-3;.

What are the key properties of 2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-methyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-methyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 761.72 g/mol, XLogP of 9.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-methyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155636163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155636163 — identifiers, structure, computed properties (public domain)

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