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

C37H24N10OPt — CID 153415143

About 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-bis(1,2,4-triazol-4-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-bis(1,2,4-triazol-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415143) has the molecular formula C37H24N10OPt and a molecular weight of 819.75 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-bis(1,2,4-triazol-4-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-bis(1,2,4-triazol-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415143
• Molecular Formula: C37H24N10OPt
• Molecular Weight: 819.75 g/mol
• Exact Mass: 819.18
• IUPAC Name: 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-bis(1,2,4-triazol-4-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(-n6cnnc6)c(-c6ccccc6)c5-n5cnnc5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C37H24N10O.Pt/c1-25-16-17-38-34(18-25)46-32-13-6-5-12-30(32)31-15-14-29(20-33(31)46)48-28-11-7-10-27(19-28)47-37(45-23-41-42-24-45)35(26-8-3-2-4-9-26)36(43-47)44-21-39-40-22-44;/h2-18,21-24H,1H3;/q-2;+2
• InChIKey: LKMINCVIAAUWBQ-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 106.29 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	819.75
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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-bis(1,2,4-triazol-4-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-bis(1,2,4-triazol-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153415143) is 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-bis(1,2,4-triazol-4-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-bis(1,2,4-triazol-4-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-bis(1,2,4-triazol-4-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(-n6cnnc6)c(-c6ccccc6)c5-n5cnnc5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is LKMINCVIAAUWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N10O.Pt/c1-25-16-17-38-34(18-25)46-32-13-6-5-12-30(32)31-15-14-29(20-33(31)46)48-28-11-7-10-27(19-28)47-37(45-23-41-42-24-45)35(26-8-3-2-4-9-26)36(43-47)44-21-39-40-22-44;/h2-18,21-24H,1H3;/q-2;+2.

What are the key properties of 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-bis(1,2,4-triazol-4-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-bis(1,2,4-triazol-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 819.75 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-bis(1,2,4-triazol-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).