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

C45H27N5OPt — CID 155635947

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

2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 155635947) has the molecular formula C45H27N5OPt and a molecular weight of 848.82 g/mol. Its IUPAC name is 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 155635947
• Molecular Formula: C45H27N5OPt
• Molecular Weight: 848.82 g/mol
• Exact Mass: 848.19
• IUPAC Name: 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-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(-n2cc(-c3c(-c4ccccc4)cccc3-c3ccccc3)cn2)c1.[Pt+2]
• InChI: InChI=1S/C45H27N5O.Pt/c1-46-34-25-35(49-30-33(29-48-49)45-38(31-13-4-2-5-14-31)18-12-19-39(45)32-15-6-3-7-16-32)27-37(26-34)51-36-22-23-41-40-17-8-9-20-42(40)50(43(41)28-36)44-21-10-11-24-47-44;/h2-26,29-30H;/q-2;+2
• InChIKey: KUFBIAVUQAQUQD-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 49.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.82
LogP ≤ 5	11.31
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-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 155635947) is 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-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-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-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(-n2cc(-c3c(-c4ccccc4)cccc3-c3ccccc3)cn2)c1.[Pt+2].

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

The InChIKey is KUFBIAVUQAQUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5O.Pt/c1-46-34-25-35(49-30-33(29-48-49)45-38(31-13-4-2-5-14-31)18-12-19-39(45)32-15-6-3-7-16-32)27-37(26-34)51-36-22-23-41-40-17-8-9-20-42(40)50(43(41)28-36)44-21-10-11-24-47-44;/h2-26,29-30H;/q-2;+2.

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

2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 848.82 g/mol, XLogP of 11.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 155635947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).