(4-tert-butyl-2-pyridinyl)-[6-[(4-tert-butyl-2-pyridinyl)-dimethylsilyl]-9-pyridin-4-yl-4,5-dihydrocarbazole-4,5-diid-3-yl]-dimethylsilane;platinum(2+)

C39H44N4PtSi2 — CID 153433430

About (4-tert-butyl-2-pyridinyl)-[6-[(4-tert-butyl-2-pyridinyl)-dimethylsilyl]-9-pyridin-4-yl-4,5-dihydrocarbazole-4,5-diid-3-yl]-dimethylsilane;platinum(2+)

(4-tert-butyl-2-pyridinyl)-[6-[(4-tert-butyl-2-pyridinyl)-dimethylsilyl]-9-pyridin-4-yl-4,5-dihydrocarbazole-4,5-diid-3-yl]-dimethylsilane;platinum(2+) (PubChem CID 153433430) has the molecular formula C39H44N4PtSi2 and a molecular weight of 820.06 g/mol. Its IUPAC name is (4-tert-butyl-2-pyridinyl)-[6-[(4-tert-butyl-2-pyridinyl)-dimethylsilyl]-9-pyridin-4-yl-4,5-dihydrocarbazole-4,5-diid-3-yl]-dimethylsilane;platinum(2+).

Molecular Properties

• Compound Name: (4-tert-butyl-2-pyridinyl)-[6-[(4-tert-butyl-2-pyridinyl)-dimethylsilyl]-9-pyridin-4-yl-4,5-dihydrocarbazole-4,5-diid-3-yl]-dimethylsilane;platinum(2+)
• PubChem CID: 153433430
• Molecular Formula: C39H44N4PtSi2
• Molecular Weight: 820.06 g/mol
• Exact Mass: 819.28
• IUPAC Name: (4-tert-butyl-2-pyridinyl)-[6-[(4-tert-butyl-2-pyridinyl)-dimethylsilyl]-9-pyridin-4-yl-4,5-dihydrocarbazole-4,5-diid-3-yl]-dimethylsilane;platinum(2+)
• SMILES: CC(C)(C)c1ccnc([Si](C)(C)c2[c-]c3c4[c-]c([Si](C)(C)c5cc(C(C)(C)C)ccn5)ccc4n(-c4ccncc4)c3cc2)c1.[Pt+2]
• InChI: InChI=1S/C39H44N4Si2.Pt/c1-38(2,3)27-15-21-41-36(23-27)44(7,8)30-11-13-34-32(25-30)33-26-31(12-14-35(33)43(34)29-17-19-40-20-18-29)45(9,10)37-24-28(16-22-42-37)39(4,5)6;/h11-24H,1-10H3;/q-2;+2
• InChIKey: XZMDMQKKPHQHBN-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.06
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 (4-tert-butyl-2-pyridinyl)-[6-[(4-tert-butyl-2-pyridinyl)-dimethylsilyl]-9-pyridin-4-yl-4,5-dihydrocarbazole-4,5-diid-3-yl]-dimethylsilane;platinum(2+)?

The IUPAC name of (4-tert-butyl-2-pyridinyl)-[6-[(4-tert-butyl-2-pyridinyl)-dimethylsilyl]-9-pyridin-4-yl-4,5-dihydrocarbazole-4,5-diid-3-yl]-dimethylsilane;platinum(2+) (CID 153433430) is (4-tert-butyl-2-pyridinyl)-[6-[(4-tert-butyl-2-pyridinyl)-dimethylsilyl]-9-pyridin-4-yl-4,5-dihydrocarbazole-4,5-diid-3-yl]-dimethylsilane;platinum(2+).

What is the SMILES notation for (4-tert-butyl-2-pyridinyl)-[6-[(4-tert-butyl-2-pyridinyl)-dimethylsilyl]-9-pyridin-4-yl-4,5-dihydrocarbazole-4,5-diid-3-yl]-dimethylsilane;platinum(2+)?

The canonical SMILES for (4-tert-butyl-2-pyridinyl)-[6-[(4-tert-butyl-2-pyridinyl)-dimethylsilyl]-9-pyridin-4-yl-4,5-dihydrocarbazole-4,5-diid-3-yl]-dimethylsilane;platinum(2+) is CC(C)(C)c1ccnc([Si](C)(C)c2[c-]c3c4[c-]c([Si](C)(C)c5cc(C(C)(C)C)ccn5)ccc4n(-c4ccncc4)c3cc2)c1.[Pt+2].

What is the InChIKey of (4-tert-butyl-2-pyridinyl)-[6-[(4-tert-butyl-2-pyridinyl)-dimethylsilyl]-9-pyridin-4-yl-4,5-dihydrocarbazole-4,5-diid-3-yl]-dimethylsilane;platinum(2+)?

The InChIKey is XZMDMQKKPHQHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44N4Si2.Pt/c1-38(2,3)27-15-21-41-36(23-27)44(7,8)30-11-13-34-32(25-30)33-26-31(12-14-35(33)43(34)29-17-19-40-20-18-29)45(9,10)37-24-28(16-22-42-37)39(4,5)6;/h11-24H,1-10H3;/q-2;+2.

What are the key properties of (4-tert-butyl-2-pyridinyl)-[6-[(4-tert-butyl-2-pyridinyl)-dimethylsilyl]-9-pyridin-4-yl-4,5-dihydrocarbazole-4,5-diid-3-yl]-dimethylsilane;platinum(2+)?

(4-tert-butyl-2-pyridinyl)-[6-[(4-tert-butyl-2-pyridinyl)-dimethylsilyl]-9-pyridin-4-yl-4,5-dihydrocarbazole-4,5-diid-3-yl]-dimethylsilane;platinum(2+) has a molecular weight of 820.06 g/mol, XLogP of 6.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-tert-butyl-2-pyridinyl)-[6-[(4-tert-butyl-2-pyridinyl)-dimethylsilyl]-9-pyridin-4-yl-4,5-dihydrocarbazole-4,5-diid-3-yl]-dimethylsilane;platinum(2+) is sourced from PubChem (CID 153433430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).