bis(platinum(2+));9-pyridin-2-yl-2-[3-(6-pyridin-4-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-pyridin-2-yl-2-[3-(6-pyrimidin-2-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide

C65H39N13O2Pt2 — CID 157395787

About bis(platinum(2+));9-pyridin-2-yl-2-[3-(6-pyridin-4-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-pyridin-2-yl-2-[3-(6-pyrimidin-2-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide

bis(platinum(2+));9-pyridin-2-yl-2-[3-(6-pyridin-4-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-pyridin-2-yl-2-[3-(6-pyrimidin-2-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide (PubChem CID 157395787) has the molecular formula C65H39N13O2Pt2 and a molecular weight of 1424.27 g/mol. Its IUPAC name is bis(platinum(2+));9-pyridin-2-yl-2-[3-(6-pyridin-4-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-pyridin-2-yl-2-[3-(6-pyrimidin-2-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: bis(platinum(2+));9-pyridin-2-yl-2-[3-(6-pyridin-4-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-pyridin-2-yl-2-[3-(6-pyrimidin-2-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide
• PubChem CID: 157395787
• Molecular Formula: C65H39N13O2Pt2
• Molecular Weight: 1424.27 g/mol
• Exact Mass: 1423.26
• IUPAC Name: bis(platinum(2+));9-pyridin-2-yl-2-[3-(6-pyridin-4-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-pyridin-2-yl-2-[3-(6-pyrimidin-2-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide
• SMILES: [Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1ncc2ccn(-c3ccncc3)c21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1ncc2ccn(-c3ncccn3)c21
• InChI: InChI=1S/C33H20N6O.C32H19N7O.2Pt/c1-2-9-30-28(8-1)29-12-11-27(21-31(29)38(30)32-10-3-4-16-35-32)40-26-7-5-6-25(20-26)39-33-23(22-36-39)15-19-37(33)24-13-17-34-18-14-24;1-2-10-28-26(9-1)27-13-12-25(20-29(27)38(28)30-11-3-4-15-33-30)40-24-8-5-7-23(19-24)39-31-22(21-36-39)14-18-37(31)32-34-16-6-17-35-32;;/h1-19,22H;1-18,21H;;/q2*-2;2*+2
• InChIKey: DZPKCLDFLREESC-UHFFFAOYSA-N
• XLogP: 13.58
• TPSA: 138.27 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1424.27
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(platinum(2+));9-pyridin-2-yl-2-[3-(6-pyridin-4-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-pyridin-2-yl-2-[3-(6-pyrimidin-2-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?

The IUPAC name of bis(platinum(2+));9-pyridin-2-yl-2-[3-(6-pyridin-4-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-pyridin-2-yl-2-[3-(6-pyrimidin-2-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide (CID 157395787) is bis(platinum(2+));9-pyridin-2-yl-2-[3-(6-pyridin-4-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-pyridin-2-yl-2-[3-(6-pyrimidin-2-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide.

What is the SMILES notation for bis(platinum(2+));9-pyridin-2-yl-2-[3-(6-pyridin-4-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-pyridin-2-yl-2-[3-(6-pyrimidin-2-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?

The canonical SMILES for bis(platinum(2+));9-pyridin-2-yl-2-[3-(6-pyridin-4-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-pyridin-2-yl-2-[3-(6-pyrimidin-2-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide is [Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1ncc2ccn(-c3ccncc3)c21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1ncc2ccn(-c3ncccn3)c21.

What is the InChIKey of bis(platinum(2+));9-pyridin-2-yl-2-[3-(6-pyridin-4-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-pyridin-2-yl-2-[3-(6-pyrimidin-2-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?

The InChIKey is DZPKCLDFLREESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N6O.C32H19N7O.2Pt/c1-2-9-30-28(8-1)29-12-11-27(21-31(29)38(30)32-10-3-4-16-35-32)40-26-7-5-6-25(20-26)39-33-23(22-36-39)15-19-37(33)24-13-17-34-18-14-24;1-2-10-28-26(9-1)27-13-12-25(20-29(27)38(28)30-11-3-4-15-33-30)40-24-8-5-7-23(19-24)39-31-22(21-36-39)14-18-37(31)32-34-16-6-17-35-32;;/h1-19,22H;1-18,21H;;/q2*-2;2*+2.

What are the key properties of bis(platinum(2+));9-pyridin-2-yl-2-[3-(6-pyridin-4-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-pyridin-2-yl-2-[3-(6-pyrimidin-2-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?

bis(platinum(2+));9-pyridin-2-yl-2-[3-(6-pyridin-4-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-pyridin-2-yl-2-[3-(6-pyrimidin-2-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide has a molecular weight of 1424.27 g/mol, XLogP of 13.58, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(platinum(2+));9-pyridin-2-yl-2-[3-(6-pyridin-4-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-pyridin-2-yl-2-[3-(6-pyrimidin-2-ylpyrrolo[3,2-d]pyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide is sourced from PubChem (CID 157395787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).