2-[5-(isocyanomethyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-phenylpyrazol-3-yl]acetonitrile;platinum(2+)

C37H24N6OPt — CID 153415659

About 2-[5-(isocyanomethyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-phenylpyrazol-3-yl]acetonitrile;platinum(2+)

2-[5-(isocyanomethyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-phenylpyrazol-3-yl]acetonitrile;platinum(2+) (PubChem CID 153415659) has the molecular formula C37H24N6OPt and a molecular weight of 763.72 g/mol. Its IUPAC name is 2-[5-(isocyanomethyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-phenylpyrazol-3-yl]acetonitrile;platinum(2+).

Molecular Properties

• Compound Name: 2-[5-(isocyanomethyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-phenylpyrazol-3-yl]acetonitrile;platinum(2+)
• PubChem CID: 153415659
• Molecular Formula: C37H24N6OPt
• Molecular Weight: 763.72 g/mol
• Exact Mass: 763.17
• IUPAC Name: 2-[5-(isocyanomethyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-phenylpyrazol-3-yl]acetonitrile;platinum(2+)
• SMILES: [C-]#[N+]Cc1c(-c2ccccc2)c(CC#N)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[Pt+2]
• InChI: InChI=1S/C37H24N6O.Pt/c1-25-18-20-40-36(21-25)42-33-14-7-6-13-30(33)31-16-15-29(23-34(31)42)44-28-12-8-11-27(22-28)43-35(24-39-2)37(32(41-43)17-19-38)26-9-4-3-5-10-26;/h3-16,18,20-21H,17,24H2,1H3;/q-2;+2
• InChIKey: PEIWJURZTLIACL-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 73.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.72
LogP ≤ 5	8.22
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 2-[5-(isocyanomethyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-phenylpyrazol-3-yl]acetonitrile;platinum(2+)?

The IUPAC name of 2-[5-(isocyanomethyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-phenylpyrazol-3-yl]acetonitrile;platinum(2+) (CID 153415659) is 2-[5-(isocyanomethyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-phenylpyrazol-3-yl]acetonitrile;platinum(2+).

What is the SMILES notation for 2-[5-(isocyanomethyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-phenylpyrazol-3-yl]acetonitrile;platinum(2+)?

The canonical SMILES for 2-[5-(isocyanomethyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-phenylpyrazol-3-yl]acetonitrile;platinum(2+) is [C-]#[N+]Cc1c(-c2ccccc2)c(CC#N)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[Pt+2].

What is the InChIKey of 2-[5-(isocyanomethyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-phenylpyrazol-3-yl]acetonitrile;platinum(2+)?

The InChIKey is PEIWJURZTLIACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N6O.Pt/c1-25-18-20-40-36(21-25)42-33-14-7-6-13-30(33)31-16-15-29(23-34(31)42)44-28-12-8-11-27(22-28)43-35(24-39-2)37(32(41-43)17-19-38)26-9-4-3-5-10-26;/h3-16,18,20-21H,17,24H2,1H3;/q-2;+2.

What are the key properties of 2-[5-(isocyanomethyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-phenylpyrazol-3-yl]acetonitrile;platinum(2+)?

2-[5-(isocyanomethyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-phenylpyrazol-3-yl]acetonitrile;platinum(2+) has a molecular weight of 763.72 g/mol, XLogP of 8.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(isocyanomethyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-phenylpyrazol-3-yl]acetonitrile;platinum(2+) is sourced from PubChem (CID 153415659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).