2-[3-[4-(4-ethylphenyl)-3-pyridin-2-yl-5-pyridin-3-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C46H34N6OPt — CID 153415360

About 2-[3-[4-(4-ethylphenyl)-3-pyridin-2-yl-5-pyridin-3-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-(4-ethylphenyl)-3-pyridin-2-yl-5-pyridin-3-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415360) has the molecular formula C46H34N6OPt and a molecular weight of 881.90 g/mol. Its IUPAC name is 2-[3-[4-(4-ethylphenyl)-3-pyridin-2-yl-5-pyridin-3-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(4-ethylphenyl)-3-pyridin-2-yl-5-pyridin-3-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415360
• Molecular Formula: C46H34N6OPt
• Molecular Weight: 881.90 g/mol
• Exact Mass: 881.24
• IUPAC Name: 2-[3-[4-(4-ethylphenyl)-3-pyridin-2-yl-5-pyridin-3-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1ccc(-c2c(-c3ccccn3)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)cc(C)c3)c2-c2cccnc2)cc1.[Pt+2]
• InChI: InChI=1S/C46H34N6O.Pt/c1-4-32-14-16-33(17-15-32)44-45(40-12-7-8-22-48-40)50-52(46(44)34-10-9-21-47-29-34)35-24-31(3)25-37(27-35)53-36-18-19-39-38-11-5-6-13-41(38)51(42(39)28-36)43-26-30(2)20-23-49-43;/h5-26,29H,4H2,1-3H3;/q-2;+2
• InChIKey: LVSHJJTWLZKIJY-UHFFFAOYSA-N
• XLogP: 10.72
• TPSA: 70.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.90
LogP ≤ 5	10.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-ethylphenyl)-3-pyridin-2-yl-5-pyridin-3-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(4-ethylphenyl)-3-pyridin-2-yl-5-pyridin-3-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153415360) is 2-[3-[4-(4-ethylphenyl)-3-pyridin-2-yl-5-pyridin-3-ylpyrazol-1-yl]-5-methylbenzene-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-ethylphenyl)-3-pyridin-2-yl-5-pyridin-3-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[4-(4-ethylphenyl)-3-pyridin-2-yl-5-pyridin-3-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCc1ccc(-c2c(-c3ccccn3)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)cc(C)c3)c2-c2cccnc2)cc1.[Pt+2].

What is the InChIKey of 2-[3-[4-(4-ethylphenyl)-3-pyridin-2-yl-5-pyridin-3-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is LVSHJJTWLZKIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N6O.Pt/c1-4-32-14-16-33(17-15-32)44-45(40-12-7-8-22-48-40)50-52(46(44)34-10-9-21-47-29-34)35-24-31(3)25-37(27-35)53-36-18-19-39-38-11-5-6-13-41(38)51(42(39)28-36)43-26-30(2)20-23-49-43;/h5-26,29H,4H2,1-3H3;/q-2;+2.

What are the key properties of 2-[3-[4-(4-ethylphenyl)-3-pyridin-2-yl-5-pyridin-3-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-[4-(4-ethylphenyl)-3-pyridin-2-yl-5-pyridin-3-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 881.90 g/mol, XLogP of 10.72, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(4-ethylphenyl)-3-pyridin-2-yl-5-pyridin-3-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).