2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+)

C45H46N4OPt — CID 153440750

About 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+)

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153440750) has the molecular formula C45H46N4OPt and a molecular weight of 853.97 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153440750
• Molecular Formula: C45H46N4OPt
• Molecular Weight: 853.97 g/mol
• Exact Mass: 853.33
• IUPAC Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5C)ccc4)ccc3c3cc(C(C)C(C)C(C)(C)C)ccc32)c1.[Pt+2]
• InChI: InChI=1S/C45H46N4O.Pt/c1-9-14-33-23-24-46-43(25-33)48-41-22-19-35(29(2)30(3)45(6,7)8)26-40(41)39-21-20-38(28-42(39)48)50-37-18-13-17-36(27-37)49-32(5)44(31(4)47-49)34-15-11-10-12-16-34;/h10-13,15-26,29-30H,9,14H2,1-8H3;/q-2;+2
• InChIKey: WHQYDIDFMPSZIH-UHFFFAOYSA-N
• XLogP: 11.78
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.97
LogP ≤ 5	11.78
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-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153440750) is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+) is CCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5C)ccc4)ccc3c3cc(C(C)C(C)C(C)(C)C)ccc32)c1.[Pt+2].

What is the InChIKey of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is WHQYDIDFMPSZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N4O.Pt/c1-9-14-33-23-24-46-43(25-33)48-41-22-19-35(29(2)30(3)45(6,7)8)26-40(41)39-21-20-38(28-42(39)48)50-37-18-13-17-36(27-37)49-32(5)44(31(4)47-49)34-15-11-10-12-16-34;/h10-13,15-26,29-30H,9,14H2,1-8H3;/q-2;+2.

What are the key properties of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 853.97 g/mol, XLogP of 11.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153440750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).