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

C47H50N4OPt — CID 153441464

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

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(3-methylbutyl)benzene-2-id-1-yl]oxy-6-heptan-2-yl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441464) has the molecular formula C47H50N4OPt and a molecular weight of 882.02 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(3-methylbutyl)benzene-2-id-1-yl]oxy-6-heptan-2-yl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(3-methylbutyl)benzene-2-id-1-yl]oxy-6-heptan-2-yl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441464
• Molecular Formula: C47H50N4OPt
• Molecular Weight: 882.02 g/mol
• Exact Mass: 881.36
• IUPAC Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(3-methylbutyl)benzene-2-id-1-yl]oxy-6-heptan-2-yl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCCCC(C)c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)cc(CCC(C)C)c3)[c-]c1n2-c1cc(C)ccn1.[Pt+2]
• InChI: InChI=1S/C47H50N4O.Pt/c1-8-9-11-14-33(5)38-19-22-44-43(28-38)42-21-20-40(30-45(42)50(44)46-25-32(4)23-24-48-46)52-41-27-36(18-17-31(2)3)26-39(29-41)51-35(7)47(34(6)49-51)37-15-12-10-13-16-37;/h10,12-13,15-16,19-28,31,33H,8-9,11,14,17-18H2,1-7H3;/q-2;+2
• InChIKey: RYVLNXSYULCFOX-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.02
LogP ≤ 5	12.62
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)-5-(3-methylbutyl)benzene-2-id-1-yl]oxy-6-heptan-2-yl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(3-methylbutyl)benzene-2-id-1-yl]oxy-6-heptan-2-yl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153441464) is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(3-methylbutyl)benzene-2-id-1-yl]oxy-6-heptan-2-yl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(3-methylbutyl)benzene-2-id-1-yl]oxy-6-heptan-2-yl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCCCCC(C)c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)cc(CCC(C)C)c3)[c-]c1n2-c1cc(C)ccn1.[Pt+2].

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

The InChIKey is RYVLNXSYULCFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H50N4O.Pt/c1-8-9-11-14-33(5)38-19-22-44-43(28-38)42-21-20-40(30-45(42)50(44)46-25-32(4)23-24-48-46)52-41-27-36(18-17-31(2)3)26-39(29-41)51-35(7)47(34(6)49-51)37-15-12-10-13-16-37;/h10,12-13,15-16,19-28,31,33H,8-9,11,14,17-18H2,1-7H3;/q-2;+2.

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

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(3-methylbutyl)benzene-2-id-1-yl]oxy-6-heptan-2-yl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 882.02 g/mol, XLogP of 12.62, 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)-5-(3-methylbutyl)benzene-2-id-1-yl]oxy-6-heptan-2-yl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).