2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C35H23N5OPt — CID 155623027

About 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 155623027) has the molecular formula C35H23N5OPt and a molecular weight of 724.68 g/mol. Its IUPAC name is 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 155623027
• Molecular Formula: C35H23N5OPt
• Molecular Weight: 724.68 g/mol
• Exact Mass: 724.16
• IUPAC Name: 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: [C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(-c2cn(-c3c(C)cccc3C)cn2)c1.[Pt+2]
• InChI: InChI=1S/C35H23N5O.Pt/c1-23-9-8-10-24(2)35(23)39-21-31(38-22-39)25-17-26(36-3)19-28(18-25)41-27-14-15-30-29-11-4-5-12-32(29)40(33(30)20-27)34-13-6-7-16-37-34;/h4-17,19,21-22H,1-2H3;/q-2;+2
• InChIKey: ZPJSIDBLXXTLRD-UHFFFAOYSA-N
• XLogP: 8.59
• TPSA: 49.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.68
LogP ≤ 5	8.59
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-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 155623027) is 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is [C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(-c2cn(-c3c(C)cccc3C)cn2)c1.[Pt+2].

What is the InChIKey of 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is ZPJSIDBLXXTLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N5O.Pt/c1-23-9-8-10-24(2)35(23)39-21-31(38-22-39)25-17-26(36-3)19-28(18-25)41-27-14-15-30-29-11-4-5-12-32(29)40(33(30)20-27)34-13-6-7-16-37-34;/h4-17,19,21-22H,1-2H3;/q-2;+2.

What are the key properties of 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 724.68 g/mol, XLogP of 8.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 155623027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).