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

C43H41FN4OPt — CID 153441949

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

6-(6,6-dimethylheptan-2-yl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441949) has the molecular formula C43H41FN4OPt and a molecular weight of 843.90 g/mol. Its IUPAC name is 6-(6,6-dimethylheptan-2-yl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-(6,6-dimethylheptan-2-yl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441949
• Molecular Formula: C43H41FN4OPt
• Molecular Weight: 843.90 g/mol
• Exact Mass: 843.29
• IUPAC Name: 6-(6,6-dimethylheptan-2-yl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)CCCC(C)(C)C)ccc3n4-c3cc(F)ccn3)ccc2)c(C)c1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C43H41FN4O.Pt/c1-28(12-11-22-43(4,5)6)32-17-20-39-38(24-32)37-19-18-36(27-40(37)47(39)41-25-33(44)21-23-45-41)49-35-16-10-15-34(26-35)48-30(3)42(29(2)46-48)31-13-8-7-9-14-31;/h7-10,13-21,23-25,28H,11-12,22H2,1-6H3;/q-2;+2
• InChIKey: GIFKJUKEKDTTGR-UHFFFAOYSA-N
• XLogP: 11.50
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.90
LogP ≤ 5	11.50
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 6-(6,6-dimethylheptan-2-yl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 6-(6,6-dimethylheptan-2-yl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153441949) is 6-(6,6-dimethylheptan-2-yl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

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

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

The InChIKey is GIFKJUKEKDTTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H41FN4O.Pt/c1-28(12-11-22-43(4,5)6)32-17-20-39-38(24-32)37-19-18-36(27-40(37)47(39)41-25-33(44)21-23-45-41)49-35-16-10-15-34(26-35)48-30(3)42(29(2)46-48)31-13-8-7-9-14-31;/h7-10,13-21,23-25,28H,11-12,22H2,1-6H3;/q-2;+2.

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

6-(6,6-dimethylheptan-2-yl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 843.90 g/mol, XLogP of 11.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6,6-dimethylheptan-2-yl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).