tri(propan-2-yl)-[2-[2,3,6,7-tetrabromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane

C36H46Br4Si2 — CID 134954086

About tri(propan-2-yl)-[2-[2,3,6,7-tetrabromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane

tri(propan-2-yl)-[2-[2,3,6,7-tetrabromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane (PubChem CID 134954086) has the molecular formula C36H46Br4Si2 and a molecular weight of 854.55 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[2,3,6,7-tetrabromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[2-[2,3,6,7-tetrabromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane
• PubChem CID: 134954086
• Molecular Formula: C36H46Br4Si2
• Molecular Weight: 854.55 g/mol
• Exact Mass: 849.99
• IUPAC Name: tri(propan-2-yl)-[2-[2,3,6,7-tetrabromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane
• SMILES: CC(C)[Si](C#Cc1c2cc(Br)c(Br)cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc(Br)c(Br)cc12)(C(C)C)C(C)C
• InChI: InChI=1S/C36H46Br4Si2/c1-21(2)41(22(3)4,23(5)6)15-13-27-29-17-33(37)35(39)19-31(29)28(32-20-36(40)34(38)18-30(27)32)14-16-42(24(7)8,25(9)10)26(11)12/h17-26H,1-12H3
• InChIKey: FJHRUMZKZGTJGH-UHFFFAOYSA-N
• XLogP: 14.18
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.55
LogP ≤ 5	14.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-[2,3,6,7-tetrabromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane?

The IUPAC name of tri(propan-2-yl)-[2-[2,3,6,7-tetrabromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane (CID 134954086) is tri(propan-2-yl)-[2-[2,3,6,7-tetrabromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane.

What is the SMILES notation for tri(propan-2-yl)-[2-[2,3,6,7-tetrabromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane?

The canonical SMILES for tri(propan-2-yl)-[2-[2,3,6,7-tetrabromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane is CC(C)[Si](C#Cc1c2cc(Br)c(Br)cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc(Br)c(Br)cc12)(C(C)C)C(C)C.

What is the InChIKey of tri(propan-2-yl)-[2-[2,3,6,7-tetrabromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane?

The InChIKey is FJHRUMZKZGTJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46Br4Si2/c1-21(2)41(22(3)4,23(5)6)15-13-27-29-17-33(37)35(39)19-31(29)28(32-20-36(40)34(38)18-30(27)32)14-16-42(24(7)8,25(9)10)26(11)12/h17-26H,1-12H3.

What are the key properties of tri(propan-2-yl)-[2-[2,3,6,7-tetrabromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane?

tri(propan-2-yl)-[2-[2,3,6,7-tetrabromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane has a molecular weight of 854.55 g/mol, XLogP of 14.18, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[2-[2,3,6,7-tetrabromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane is sourced from PubChem (CID 134954086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).