2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C37H30N4OPt — CID 153414242

About 2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414242) has the molecular formula C37H30N4OPt and a molecular weight of 741.75 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414242
• Molecular Formula: C37H30N4OPt
• Molecular Weight: 741.75 g/mol
• Exact Mass: 741.21
• IUPAC Name: 2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C)cccc6C)cn5)cc(C)c4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C37H30N4O.Pt/c1-5-27-15-16-38-36(19-27)41-34-12-7-6-11-32(34)33-14-13-30(21-35(33)41)42-31-18-24(2)17-29(20-31)40-23-28(22-39-40)37-25(3)9-8-10-26(37)4;/h6-19,22-23H,5H2,1-4H3;/q-2;+2
• InChIKey: YYHDHLNKFMPJQL-UHFFFAOYSA-N
• XLogP: 8.91
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.75
LogP ≤ 5	8.91
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-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153414242) is 2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C)cccc6C)cn5)cc(C)c4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is YYHDHLNKFMPJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N4O.Pt/c1-5-27-15-16-38-36(19-27)41-34-12-7-6-11-32(34)33-14-13-30(21-35(33)41)42-31-18-24(2)17-29(20-31)40-23-28(22-39-40)37-25(3)9-8-10-26(37)4;/h6-19,22-23H,5H2,1-4H3;/q-2;+2.

What are the key properties of 2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 741.75 g/mol, XLogP of 8.91, 6 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-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153414242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).