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

C45H46N4OPt — CID 153441514

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

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(6-methylheptan-2-yl)-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441514) 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-6-(6-methylheptan-2-yl)-9-(4-propyl-2-pyridinyl)-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-6-(6-methylheptan-2-yl)-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441514
• 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-6-(6-methylheptan-2-yl)-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5C)ccc4)ccc3c3cc(C(C)CCCC(C)C)ccc32)c1.[Pt+2]
• InChI: InChI=1S/C45H46N4O.Pt/c1-7-13-34-24-25-46-44(26-34)48-42-23-20-36(31(4)15-11-14-30(2)3)27-41(42)40-22-21-39(29-43(40)48)50-38-19-12-18-37(28-38)49-33(6)45(32(5)47-49)35-16-9-8-10-17-35;/h8-10,12,16-27,30-31H,7,11,13-15H2,1-6H3;/q-2;+2
• InChIKey: ZIMYTVDHIWSZHW-UHFFFAOYSA-N
• XLogP: 11.92
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.97
LogP ≤ 5	11.92
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-6-(6-methylheptan-2-yl)-9-(4-propyl-2-pyridinyl)-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-6-(6-methylheptan-2-yl)-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153441514) is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(6-methylheptan-2-yl)-9-(4-propyl-2-pyridinyl)-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-6-(6-methylheptan-2-yl)-9-(4-propyl-2-pyridinyl)-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-6-(6-methylheptan-2-yl)-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5C)ccc4)ccc3c3cc(C(C)CCCC(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-6-(6-methylheptan-2-yl)-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is ZIMYTVDHIWSZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N4O.Pt/c1-7-13-34-24-25-46-44(26-34)48-42-23-20-36(31(4)15-11-14-30(2)3)27-41(42)40-22-21-39(29-43(40)48)50-38-19-12-18-37(28-38)49-33(6)45(32(5)47-49)35-16-9-8-10-17-35;/h8-10,12,16-27,30-31H,7,11,13-15H2,1-6H3;/q-2;+2.

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

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(6-methylheptan-2-yl)-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 853.97 g/mol, XLogP of 11.92, 12 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-6-(6-methylheptan-2-yl)-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).