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

C40H36N4OPt — CID 153415742

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

2-[3-[4-(4-methylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415742) has the molecular formula C40H36N4OPt and a molecular weight of 783.83 g/mol. Its IUPAC name is 2-[3-[4-(4-methylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(4-methylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415742
• Molecular Formula: C40H36N4OPt
• Molecular Weight: 783.83 g/mol
• Exact Mass: 783.25
• IUPAC Name: 2-[3-[4-(4-methylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccc(-c2c(C(C)C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)ccc3)c2C(C)C)cc1.[Pt+2]
• InChI: InChI=1S/C40H36N4O.Pt/c1-25(2)39-38(29-16-14-27(5)15-17-29)40(26(3)4)44(42-39)30-10-9-11-31(23-30)45-32-18-19-34-33-12-7-8-13-35(33)43(36(34)24-32)37-22-28(6)20-21-41-37;/h7-22,25-26H,1-6H3;/q-2;+2
• InChIKey: RTYPPCGMBMPJEP-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.83
LogP ≤ 5	10.29
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-(4-methylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(4-methylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153415742) is 2-[3-[4-(4-methylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[4-(4-methylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1ccc(-c2c(C(C)C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)ccc3)c2C(C)C)cc1.[Pt+2].

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

The InChIKey is RTYPPCGMBMPJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N4O.Pt/c1-25(2)39-38(29-16-14-27(5)15-17-29)40(26(3)4)44(42-39)30-10-9-11-31(23-30)45-32-18-19-34-33-12-7-8-13-35(33)43(36(34)24-32)37-22-28(6)20-21-41-37;/h7-22,25-26H,1-6H3;/q-2;+2.

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

2-[3-[4-(4-methylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 783.83 g/mol, XLogP of 10.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(4-methylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).