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

C46H48N4OPt — CID 153442283

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

2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-6-pentyl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153442283) has the molecular formula C46H48N4OPt and a molecular weight of 867.99 g/mol. Its IUPAC name is 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-6-pentyl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-6-pentyl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153442283
• Molecular Formula: C46H48N4OPt
• Molecular Weight: 867.99 g/mol
• Exact Mass: 867.35
• IUPAC Name: 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-6-pentyl-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCCCc1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)cc(CCC(C)(C)C)c3)[c-]c1n2-c1cc(C)ccn1.[Pt+2]
• InChI: InChI=1S/C46H48N4O.Pt/c1-8-9-11-14-34-17-20-42-41(28-34)40-19-18-38(30-43(40)49(42)44-25-31(2)22-24-47-44)51-39-27-35(21-23-46(5,6)7)26-37(29-39)50-33(4)45(32(3)48-50)36-15-12-10-13-16-36;/h10,12-13,15-20,22,24-28H,8-9,11,14,21,23H2,1-7H3;/q-2;+2
• InChIKey: QAWXVURZZWBNAM-UHFFFAOYSA-N
• XLogP: 12.06
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.99
LogP ≤ 5	12.06
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-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-6-pentyl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-6-pentyl-1H-carbazol-1-ide;platinum(2+) (CID 153442283) is 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-6-pentyl-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-6-pentyl-1H-carbazol-1-ide;platinum(2+) is CCCCCc1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)cc(CCC(C)(C)C)c3)[c-]c1n2-c1cc(C)ccn1.[Pt+2].

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

The InChIKey is QAWXVURZZWBNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N4O.Pt/c1-8-9-11-14-34-17-20-42-41(28-34)40-19-18-38(30-43(40)49(42)44-25-31(2)22-24-47-44)51-39-27-35(21-23-46(5,6)7)26-37(29-39)50-33(4)45(32(3)48-50)36-15-12-10-13-16-36;/h10,12-13,15-20,22,24-28H,8-9,11,14,21,23H2,1-7H3;/q-2;+2.

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

2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-6-pentyl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 867.99 g/mol, XLogP of 12.06, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-6-pentyl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153442283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).