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

C45H46N4OPt — CID 153441037

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

9-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441037) has the molecular formula C45H46N4OPt and a molecular weight of 853.97 g/mol. Its IUPAC name is 9-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441037
• Molecular Formula: C45H46N4OPt
• Molecular Weight: 853.97 g/mol
• Exact Mass: 853.33
• IUPAC Name: 9-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(CC(C)(C)C)ccc3n4-c3cc(CCC(C)(C)C)ccn3)ccc2)c(C)c1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C45H46N4O.Pt/c1-30-43(34-13-10-9-11-14-34)31(2)49(47-30)35-15-12-16-36(27-35)50-37-18-19-38-39-25-33(29-45(6,7)8)17-20-40(39)48(41(38)28-37)42-26-32(22-24-46-42)21-23-44(3,4)5;/h9-20,22,24-26H,21,23,29H2,1-8H3;/q-2;+2
• InChIKey: LTRBJZWIKOIWFI-UHFFFAOYSA-N
• XLogP: 11.61
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.97
LogP ≤ 5	11.61
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 9-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+) (CID 153441037) is 9-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+) is Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(CC(C)(C)C)ccc3n4-c3cc(CCC(C)(C)C)ccn3)ccc2)c(C)c1-c1ccccc1.[Pt+2].

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

The InChIKey is LTRBJZWIKOIWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N4O.Pt/c1-30-43(34-13-10-9-11-14-34)31(2)49(47-30)35-15-12-16-36(27-35)50-37-18-19-38-39-25-33(29-45(6,7)8)17-20-40(39)48(41(38)28-37)42-26-32(22-24-46-42)21-23-44(3,4)5;/h9-20,22,24-26H,21,23,29H2,1-8H3;/q-2;+2.

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

9-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 853.97 g/mol, XLogP of 11.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).