9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-5-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C41H26N8OPt — CID 153415375

About 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-5-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-5-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415375) has the molecular formula C41H26N8OPt and a molecular weight of 841.79 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-5-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-5-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415375
• Molecular Formula: C41H26N8OPt
• Molecular Weight: 841.79 g/mol
• Exact Mass: 841.19
• IUPAC Name: 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-5-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(-c6cncnc6)c(-c6ccccc6)c5-c5cncnc5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C41H26N8O.Pt/c1-27-16-17-46-38(18-27)48-36-13-6-5-12-34(36)35-15-14-33(20-37(35)48)50-32-11-7-10-31(19-32)49-41(30-23-44-26-45-24-30)39(28-8-3-2-4-9-28)40(47-49)29-21-42-25-43-22-29;/h2-18,21-26H,1H3;/q-2;+2
• InChIKey: BWNFTVJDFLCXDD-UHFFFAOYSA-N
• XLogP: 8.64
• TPSA: 96.43 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.79
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-5-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-5-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153415375) is 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-5-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-5-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-5-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(-c6cncnc6)c(-c6ccccc6)c5-c5cncnc5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-5-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is BWNFTVJDFLCXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N8O.Pt/c1-27-16-17-46-38(18-27)48-36-13-6-5-12-34(36)35-15-14-33(20-37(35)48)50-32-11-7-10-31(19-32)49-41(30-23-44-26-45-24-30)39(28-8-3-2-4-9-28)40(47-49)29-21-42-25-43-22-29;/h2-18,21-26H,1H3;/q-2;+2.

What are the key properties of 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-5-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-5-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 841.79 g/mol, XLogP of 8.64, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-5-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).