4-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-3-ide-1-carbonitrile;platinum

C37H21N5OPt-2 — CID 162465198

About 4-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-3-ide-1-carbonitrile;platinum

4-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-3-ide-1-carbonitrile;platinum (PubChem CID 162465198) has the molecular formula C37H21N5OPt-2 and a molecular weight of 746.69 g/mol. Its IUPAC name is 4-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-3-ide-1-carbonitrile;platinum.

Molecular Properties

• Compound Name: 4-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-3-ide-1-carbonitrile;platinum
• PubChem CID: 162465198
• Molecular Formula: C37H21N5OPt-2
• Molecular Weight: 746.69 g/mol
• Exact Mass: 746.14
• IUPAC Name: 4-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-3-ide-1-carbonitrile;platinum
• SMILES: N#Cc1ccc(-[n+]2[c-]n(-c3ccccc3)c3ccccc32)[c-]c1Oc1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.[Pt]
• InChI: InChI=1S/C37H21N5O.Pt/c38-24-26-17-18-28(41-25-40(27-10-2-1-3-11-27)33-14-6-7-15-34(33)41)22-36(26)43-29-19-20-31-30-12-4-5-13-32(30)42(35(31)23-29)37-16-8-9-21-39-37;/h1-21H;/q-2
• InChIKey: DQEFKRWHOZFLAM-UHFFFAOYSA-N
• XLogP: 7.46
• TPSA: 59.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.69
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-3-ide-1-carbonitrile;platinum?

The IUPAC name of 4-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-3-ide-1-carbonitrile;platinum (CID 162465198) is 4-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-3-ide-1-carbonitrile;platinum.

What is the SMILES notation for 4-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-3-ide-1-carbonitrile;platinum?

The canonical SMILES for 4-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-3-ide-1-carbonitrile;platinum is N#Cc1ccc(-[n+]2[c-]n(-c3ccccc3)c3ccccc32)[c-]c1Oc1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.[Pt].

What is the InChIKey of 4-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-3-ide-1-carbonitrile;platinum?

The InChIKey is DQEFKRWHOZFLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N5O.Pt/c38-24-26-17-18-28(41-25-40(27-10-2-1-3-11-27)33-14-6-7-15-34(33)41)22-36(26)43-29-19-20-31-30-12-4-5-13-32(30)42(35(31)23-29)37-16-8-9-21-39-37;/h1-21H;/q-2;.

What are the key properties of 4-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-3-ide-1-carbonitrile;platinum?

4-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-3-ide-1-carbonitrile;platinum has a molecular weight of 746.69 g/mol, XLogP of 7.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-3-ide-1-carbonitrile;platinum is sourced from PubChem (CID 162465198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).