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

C37H34N4OPt — CID 167401151

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 167401151) has the molecular formula C37H34N4OPt and a molecular weight of 745.78 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 167401151
• Molecular Formula: C37H34N4OPt
• Molecular Weight: 745.78 g/mol
• Exact Mass: 745.24
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)N1CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt+2]
• InChI: InChI=1S/C37H34N4O.Pt/c1-25(2)39-24-40(34-16-9-8-15-33(34)39)27-11-10-12-28(22-27)42-29-17-18-31-30-13-6-7-14-32(30)41(35(31)23-29)36-21-26(19-20-38-36)37(3,4)5;/h6-21,25H,24H2,1-5H3;/q-2;+2
• InChIKey: PGMNQMPRVVVHGF-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.78
LogP ≤ 5	9.19
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-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 167401151) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is CC(C)N1CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt+2].

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

The InChIKey is PGMNQMPRVVVHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N4O.Pt/c1-25(2)39-24-40(34-16-9-8-15-33(34)39)27-11-10-12-28(22-27)42-29-17-18-31-30-13-6-7-14-32(30)41(35(31)23-29)36-21-26(19-20-38-36)37(3,4)5;/h6-21,25H,24H2,1-5H3;/q-2;+2.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 745.78 g/mol, XLogP of 9.19, 5 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-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 167401151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).