2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C44H44N4OPt — CID 153416026

About 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153416026) has the molecular formula C44H44N4OPt and a molecular weight of 839.94 g/mol. Its IUPAC name is 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153416026
• Molecular Formula: C44H44N4OPt
• Molecular Weight: 839.94 g/mol
• Exact Mass: 839.32
• IUPAC Name: 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(CC)cccc6CC)c5C)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C44H44N4O.Pt/c1-8-14-31-21-22-45-42(23-31)47-40-18-12-11-17-38(40)39-20-19-36(27-41(39)47)49-37-25-34(28(4)5)24-35(26-37)48-30(7)43(29(6)46-48)44-32(9-2)15-13-16-33(44)10-3;/h11-13,15-25,28H,8-10,14H2,1-7H3;/q-2;+2
• InChIKey: HAMOUSSGOIPQSI-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.94
LogP ≤ 5	11.24
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-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153416026) is 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(CC)cccc6CC)c5C)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is HAMOUSSGOIPQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N4O.Pt/c1-8-14-31-21-22-45-42(23-31)47-40-18-12-11-17-38(40)39-20-19-36(27-41(39)47)49-37-25-34(28(4)5)24-35(26-37)48-30(7)43(29(6)46-48)44-32(9-2)15-13-16-33(44)10-3;/h11-13,15-25,28H,8-10,14H2,1-7H3;/q-2;+2.

What are the key properties of 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 839.94 g/mol, XLogP of 11.24, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153416026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).