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

C38H32N4OPt — CID 153413854

About 2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413854) has the molecular formula C38H32N4OPt and a molecular weight of 755.78 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413854
• Molecular Formula: C38H32N4OPt
• Molecular Weight: 755.78 g/mol
• Exact Mass: 755.22
• IUPAC Name: 2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)C)ccn2)[c-]c(-n2cc(-c3c(C)cccc3C)cn2)c1.[Pt+2]
• InChI: InChI=1S/C38H32N4O.Pt/c1-24(2)28-15-16-39-37(19-28)42-35-12-7-6-11-33(35)34-14-13-31(21-36(34)42)43-32-18-25(3)17-30(20-32)41-23-29(22-40-41)38-26(4)9-8-10-27(38)5;/h6-19,22-24H,1-5H3;/q-2;+2
• InChIKey: JWNZFSNVDHEHBQ-UHFFFAOYSA-N
• XLogP: 9.47
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.78
LogP ≤ 5	9.47
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-propan-2-yl-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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153413854) is 2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-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-propan-2-yl-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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)C)ccn2)[c-]c(-n2cc(-c3c(C)cccc3C)cn2)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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is JWNZFSNVDHEHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N4O.Pt/c1-24(2)28-15-16-39-37(19-28)42-35-12-7-6-11-33(35)34-14-13-31(21-36(34)42)43-32-18-25(3)17-30(20-32)41-23-29(22-40-41)38-26(4)9-8-10-27(38)5;/h6-19,22-24H,1-5H3;/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-propan-2-yl-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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 755.78 g/mol, XLogP of 9.47, 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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).