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

C48H52N4OPt — CID 153441492

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

6-(5,5-dimethylhexyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441492) has the molecular formula C48H52N4OPt and a molecular weight of 896.05 g/mol. Its IUPAC name is 6-(5,5-dimethylhexyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-(5,5-dimethylhexyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441492
• Molecular Formula: C48H52N4OPt
• Molecular Weight: 896.05 g/mol
• Exact Mass: 895.38
• IUPAC Name: 6-(5,5-dimethylhexyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCCCc1cc(Oc2[c-]c3c(cc2)c2cc(CCCCC(C)(C)C)ccc2n3-c2cc(C)ccn2)[c-]c(-n2nc(C)c(-c3ccccc3)c2C)c1.[Pt+2]
• InChI: InChI=1S/C48H52N4O.Pt/c1-8-9-11-17-37-28-39(52-35(4)47(34(3)50-52)38-18-12-10-13-19-38)31-41(29-37)53-40-21-22-42-43-30-36(16-14-15-25-48(5,6)7)20-23-44(43)51(45(42)32-40)46-27-33(2)24-26-49-46;/h10,12-13,18-24,26-30H,8-9,11,14-17,25H2,1-7H3;/q-2;+2
• InChIKey: VWFURSYAVQCAKU-UHFFFAOYSA-N
• XLogP: 12.84
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.05
LogP ≤ 5	12.84
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 6-(5,5-dimethylhexyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 6-(5,5-dimethylhexyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153441492) is 6-(5,5-dimethylhexyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 6-(5,5-dimethylhexyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCCCCc1cc(Oc2[c-]c3c(cc2)c2cc(CCCCC(C)(C)C)ccc2n3-c2cc(C)ccn2)[c-]c(-n2nc(C)c(-c3ccccc3)c2C)c1.[Pt+2].

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

The InChIKey is VWFURSYAVQCAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52N4O.Pt/c1-8-9-11-17-37-28-39(52-35(4)47(34(3)50-52)38-18-12-10-13-19-38)31-41(29-37)53-40-21-22-42-43-30-36(16-14-15-25-48(5,6)7)20-23-44(43)51(45(42)32-40)46-27-33(2)24-26-49-46;/h10,12-13,18-24,26-30H,8-9,11,14-17,25H2,1-7H3;/q-2;+2.

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

6-(5,5-dimethylhexyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 896.05 g/mol, XLogP of 12.84, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5,5-dimethylhexyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).