[3-tert-butyl-5-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-6-id-1-yl]methyl-dimethyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)silane;platinum

C36H35N6PtSi-3 — CID 171399717

About [3-tert-butyl-5-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-6-id-1-yl]methyl-dimethyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)silane;platinum

[3-tert-butyl-5-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-6-id-1-yl]methyl-dimethyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)silane;platinum (PubChem CID 171399717) has the molecular formula C36H35N6PtSi-3 and a molecular weight of 774.88 g/mol. Its IUPAC name is [3-tert-butyl-5-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-6-id-1-yl]methyl-dimethyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)silane;platinum.

Molecular Properties

• Compound Name: [3-tert-butyl-5-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-6-id-1-yl]methyl-dimethyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)silane;platinum
• PubChem CID: 171399717
• Molecular Formula: C36H35N6PtSi-3
• Molecular Weight: 774.88 g/mol
• Exact Mass: 774.24
• IUPAC Name: [3-tert-butyl-5-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-6-id-1-yl]methyl-dimethyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)silane;platinum
• SMILES: CN1[CH-]N(c2[c-]c(C[Si](C)(C)c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)cc(C(C)(C)C)c2)c2nccnc21.[Pt]
• InChI: InChI=1S/C36H35N6Si.Pt/c1-36(2,3)26-19-25(20-27(21-26)41-24-40(4)34-35(41)39-18-17-38-34)23-43(5,6)28-14-15-30-29-11-7-8-12-31(29)42(32(30)22-28)33-13-9-10-16-37-33;/h7-19,21,24H,23H2,1-6H3;/q-3
• InChIKey: YQFTUQPMPXWFOQ-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 50.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.88
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-5-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-6-id-1-yl]methyl-dimethyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)silane;platinum?

The IUPAC name of [3-tert-butyl-5-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-6-id-1-yl]methyl-dimethyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)silane;platinum (CID 171399717) is [3-tert-butyl-5-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-6-id-1-yl]methyl-dimethyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)silane;platinum.

What is the SMILES notation for [3-tert-butyl-5-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-6-id-1-yl]methyl-dimethyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)silane;platinum?

The canonical SMILES for [3-tert-butyl-5-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-6-id-1-yl]methyl-dimethyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)silane;platinum is CN1[CH-]N(c2[c-]c(C[Si](C)(C)c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)cc(C(C)(C)C)c2)c2nccnc21.[Pt].

What is the InChIKey of [3-tert-butyl-5-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-6-id-1-yl]methyl-dimethyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)silane;platinum?

The InChIKey is YQFTUQPMPXWFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N6Si.Pt/c1-36(2,3)26-19-25(20-27(21-26)41-24-40(4)34-35(41)39-18-17-38-34)23-43(5,6)28-14-15-30-29-11-7-8-12-31(29)42(32(30)22-28)33-13-9-10-16-37-33;/h7-19,21,24H,23H2,1-6H3;/q-3;.

What are the key properties of [3-tert-butyl-5-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-6-id-1-yl]methyl-dimethyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)silane;platinum?

[3-tert-butyl-5-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-6-id-1-yl]methyl-dimethyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)silane;platinum has a molecular weight of 774.88 g/mol, XLogP of 7.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-tert-butyl-5-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-6-id-1-yl]methyl-dimethyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)silane;platinum is sourced from PubChem (CID 171399717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).