2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+)

C41H33N5PtSi — CID 140804358

IUPAC2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+)
SMILESCC(C)(C)c1cc(-c2cccc([Si]3(c4ccccn4)c4ccccc4-c4ccccc43)n2)[n-]n1.[Pt+2].c1ccc2c(c1)[n-]c1ccccc12
InChIInChI=1S/C29H25N4Si.C12H8N.Pt/c1-29(2,3)26-19-23(32-33-26)22-13-10-17-28(31-22)34(27-16-8-9-18-30-27)24-14-6-4-11-20(24)21-12-5-7-15-25(21)34;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h4-19H,1-3H3;1-8H;/q2*-1;+2
InChIKeySQAFUZDMYBVSSY-UHFFFAOYSA-N
MW818.91 g/mol
LogP6.10
Rot. Bonds3

About 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+)

2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+) (PubChem CID 140804358) has the molecular formula C41H33N5PtSi and a molecular weight of 818.91 g/mol. Its IUPAC name is 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+).

Molecular Properties

Compound Name2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+)
PubChem CID140804358
Molecular FormulaC41H33N5PtSi
Molecular Weight818.91 g/mol
Exact Mass818.22
IUPAC Name2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+)
SMILESCC(C)(C)c1cc(-c2cccc([Si]3(c4ccccn4)c4ccccc4-c4ccccc43)n2)[n-]n1.[Pt+2].c1ccc2c(c1)[n-]c1ccccc12
InChIInChI=1S/C29H25N4Si.C12H8N.Pt/c1-29(2,3)26-19-23(32-33-26)22-13-10-17-28(31-22)34(27-16-8-9-18-30-27)24-14-6-4-11-20(24)21-12-5-7-15-25(21)34;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h4-19H,1-3H3;1-8H;/q2*-1;+2
InChIKeySQAFUZDMYBVSSY-UHFFFAOYSA-N
XLogP6.10
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.91
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+) with MolForge

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Related Compounds

carbazol-9-ide;7,7-dimethyl-3-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-5,6-dihydro-4H-indazol-2-ide;platinum(2+)
CID 140804450
2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+))
CID 58756122
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+)
CID 140723069
bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)
CID 140723061
4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;platinum(2+)
CID 140723049
4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-(4-methylphenyl)pyrimidin-2-amine;platinum(2+)
CID 140723083
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;iridium
CID 58814056
[2-[6-(3-isocyanopyrazol-1-id-5-yl)-2-pyridinyl]-2-methylpropyl]-(pyridine-2-carbonyl)azanide;platinum(2+)
CID 153419201
1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+)
CID 158649748
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;iridium;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine
CID 58814008
2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 22090468
2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+)
CID 169026666

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+)?
The IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+) (CID 140804358) is 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+).
What is the SMILES notation for 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+)?
The canonical SMILES for 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+) is CC(C)(C)c1cc(-c2cccc([Si]3(c4ccccn4)c4ccccc4-c4ccccc43)n2)[n-]n1.[Pt+2].c1ccc2c(c1)[n-]c1ccccc12.
What is the InChIKey of 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+)?
The InChIKey is SQAFUZDMYBVSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N4Si.C12H8N.Pt/c1-29(2,3)26-19-23(32-33-26)22-13-10-17-28(31-22)34(27-16-8-9-18-30-27)24-14-6-4-11-20(24)21-12-5-7-15-25(21)34;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h4-19H,1-3H3;1-8H;/q2*-1;+2.
What are the key properties of 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+)?
2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+) has a molecular weight of 818.91 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+) is sourced from PubChem (CID 140804358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).