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

C45H46N4OPt — CID 153442065

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

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-hexyl-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153442065) 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-hexyl-9-[4-(3-methylbutyl)-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-hexyl-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153442065
• 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-hexyl-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCCCCc1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)ccc3)[c-]c1n2-c1cc(CCC(C)C)ccn1.[Pt+2]
• InChI: InChI=1S/C45H46N4O.Pt/c1-6-7-8-10-14-34-21-24-42-41(27-34)40-23-22-39(30-43(40)48(42)44-28-35(25-26-46-44)20-19-31(2)3)50-38-18-13-17-37(29-38)49-33(5)45(32(4)47-49)36-15-11-9-12-16-36;/h9,11-13,15-18,21-28,31H,6-8,10,14,19-20H2,1-5H3;/q-2;+2
• InChIKey: BQGLADYTJPSPRC-UHFFFAOYSA-N
• XLogP: 11.75
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.97
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hexyl-9-[4-(3-methylbutyl)-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-hexyl-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 153442065) is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-hexyl-9-[4-(3-methylbutyl)-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-hexyl-9-[4-(3-methylbutyl)-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-hexyl-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is CCCCCCc1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)ccc3)[c-]c1n2-c1cc(CCC(C)C)ccn1.[Pt+2].

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

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

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-hexyl-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 853.97 g/mol, XLogP of 11.75, 13 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-hexyl-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153442065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).