2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C38H24N4OPt — CID 140742607

About 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 140742607) has the molecular formula C38H24N4OPt and a molecular weight of 747.72 g/mol. Its IUPAC name is 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 140742607
• Molecular Formula: C38H24N4OPt
• Molecular Weight: 747.72 g/mol
• Exact Mass: 747.16
• IUPAC Name: 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(-c3ccccc3)ccn2)cccc1-n1cc(-c2ccccc2)cn1
• InChI: InChI=1S/C38H24N4O.Pt/c1-3-10-27(11-4-1)29-20-21-39-38(22-29)42-36-17-8-7-16-34(36)35-19-18-33(24-37(35)42)43-32-15-9-14-31(23-32)41-26-30(25-40-41)28-12-5-2-6-13-28;/h1-22,25-26H;/q-2;+2
• InChIKey: LJBDMJIFAXUGSU-UHFFFAOYSA-N
• XLogP: 9.09
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.72
LogP ≤ 5	9.09
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-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 140742607) is 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(-c3ccccc3)ccn2)cccc1-n1cc(-c2ccccc2)cn1.

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

The InChIKey is LJBDMJIFAXUGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O.Pt/c1-3-10-27(11-4-1)29-20-21-39-38(22-29)42-36-17-8-7-16-34(36)35-19-18-33(24-37(35)42)43-32-15-9-14-31(23-32)41-26-30(25-40-41)28-12-5-2-6-13-28;/h1-22,25-26H;/q-2;+2.

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

2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 747.72 g/mol, XLogP of 9.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 140742607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).