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

C47H37N5OPt — CID 155622876

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 155622876) has the molecular formula C47H37N5OPt and a molecular weight of 882.93 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 155622876
• Molecular Formula: C47H37N5OPt
• Molecular Weight: 882.93 g/mol
• Exact Mass: 882.26
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CN1CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(-n3c4ccccc4c4ccccc43)c2)c2ccccc21.[Pt+2]
• InChI: InChI=1S/C47H37N5O.Pt/c1-47(2,3)31-23-24-48-46(25-31)52-42-18-10-7-15-38(42)39-22-21-34(29-45(39)52)53-35-27-32(50-30-49(4)43-19-11-12-20-44(43)50)26-33(28-35)51-40-16-8-5-13-36(40)37-14-6-9-17-41(37)51;/h5-26,28H,30H2,1-4H3;/q-2;+2
• InChIKey: MIBLRCVUQZNZHI-UHFFFAOYSA-N
• XLogP: 11.51
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.93
LogP ≤ 5	11.51
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 155622876) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is CN1CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(-n3c4ccccc4c4ccccc43)c2)c2ccccc21.[Pt+2].

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

The InChIKey is MIBLRCVUQZNZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37N5O.Pt/c1-47(2,3)31-23-24-48-46(25-31)52-42-18-10-7-15-38(42)39-22-21-34(29-45(39)52)53-35-27-32(50-30-49(4)43-19-11-12-20-44(43)50)26-33(28-35)51-40-16-8-5-13-36(40)37-14-6-9-17-41(37)51;/h5-26,28H,30H2,1-4H3;/q-2;+2.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 882.93 g/mol, XLogP of 11.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 155622876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).