5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum

C17H17N2Pt- — CID 58161906

IUPAC5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum
SMILESCCC(C)c1ccc2c(c[c-]n2-c2ccccn2)c1.[Pt]
InChIInChI=1S/C17H17N2.Pt/c1-3-13(2)14-7-8-16-15(12-14)9-11-19(16)17-6-4-5-10-18-17;/h4-10,12-13H,3H2,1-2H3;/q-1;
InChIKeyHFHBGBNHQYUYNW-UHFFFAOYSA-N
MW444.42 g/mol
LogP4.34
Rot. Bonds3

About 5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum

5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum (PubChem CID 58161906) has the molecular formula C17H17N2Pt- and a molecular weight of 444.42 g/mol. Its IUPAC name is 5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum.

Molecular Properties

Compound Name5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum
PubChem CID58161906
Molecular FormulaC17H17N2Pt-
Molecular Weight444.42 g/mol
Exact Mass444.10
IUPAC Name5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum
SMILESCCC(C)c1ccc2c(c[c-]n2-c2ccccn2)c1.[Pt]
InChIInChI=1S/C17H17N2.Pt/c1-3-13(2)14-7-8-16-15(12-14)9-11-19(16)17-6-4-5-10-18-17;/h4-10,12-13H,3H2,1-2H3;/q-1;
InChIKeyHFHBGBNHQYUYNW-UHFFFAOYSA-N
XLogP4.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum?
The IUPAC name of 5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum (CID 58161906) is 5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum.
What is the SMILES notation for 5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum?
The canonical SMILES for 5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum is CCC(C)c1ccc2c(c[c-]n2-c2ccccn2)c1.[Pt].
What is the InChIKey of 5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum?
The InChIKey is HFHBGBNHQYUYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N2.Pt/c1-3-13(2)14-7-8-16-15(12-14)9-11-19(16)17-6-4-5-10-18-17;/h4-10,12-13H,3H2,1-2H3;/q-1;.
What are the key properties of 5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum?
5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum has a molecular weight of 444.42 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum is sourced from PubChem (CID 58161906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).