tri(propan-2-yl)-[2-[8,9,10,11-tetrafluoro-6-[2-tri(propan-2-yl)silylethynyl]anthra[3,2-g]quinoxalin-13-yl]ethynyl]silane

C42H48F4N2Si2 — CID 122224272

About tri(propan-2-yl)-[2-[8,9,10,11-tetrafluoro-6-[2-tri(propan-2-yl)silylethynyl]anthra[3,2-g]quinoxalin-13-yl]ethynyl]silane

tri(propan-2-yl)-[2-[8,9,10,11-tetrafluoro-6-[2-tri(propan-2-yl)silylethynyl]anthra[3,2-g]quinoxalin-13-yl]ethynyl]silane (PubChem CID 122224272) has the molecular formula C42H48F4N2Si2 and a molecular weight of 713.02 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[8,9,10,11-tetrafluoro-6-[2-tri(propan-2-yl)silylethynyl]anthra[3,2-g]quinoxalin-13-yl]ethynyl]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[2-[8,9,10,11-tetrafluoro-6-[2-tri(propan-2-yl)silylethynyl]anthra[3,2-g]quinoxalin-13-yl]ethynyl]silane
• PubChem CID: 122224272
• Molecular Formula: C42H48F4N2Si2
• Molecular Weight: 713.02 g/mol
• Exact Mass: 712.33
• IUPAC Name: tri(propan-2-yl)-[2-[8,9,10,11-tetrafluoro-6-[2-tri(propan-2-yl)silylethynyl]anthra[3,2-g]quinoxalin-13-yl]ethynyl]silane
• SMILES: CC(C)[Si](C#Cc1c2cc3nccnc3cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc3c(F)c(F)c(F)c(F)c3cc12)(C(C)C)C(C)C
• InChI: InChI=1S/C42H48F4N2Si2/c1-23(2)49(24(3)4,25(5)6)17-13-29-31-19-35-36(40(44)42(46)41(45)39(35)43)20-32(31)30(14-18-50(26(7)8,27(9)10)28(11)12)34-22-38-37(21-33(29)34)47-15-16-48-38/h15-16,19-28H,1-12H3
• InChIKey: OIGVYQQODFBUKH-UHFFFAOYSA-N
• XLogP: 12.78
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.02
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-[8,9,10,11-tetrafluoro-6-[2-tri(propan-2-yl)silylethynyl]anthra[3,2-g]quinoxalin-13-yl]ethynyl]silane?

The IUPAC name of tri(propan-2-yl)-[2-[8,9,10,11-tetrafluoro-6-[2-tri(propan-2-yl)silylethynyl]anthra[3,2-g]quinoxalin-13-yl]ethynyl]silane (CID 122224272) is tri(propan-2-yl)-[2-[8,9,10,11-tetrafluoro-6-[2-tri(propan-2-yl)silylethynyl]anthra[3,2-g]quinoxalin-13-yl]ethynyl]silane.

What is the SMILES notation for tri(propan-2-yl)-[2-[8,9,10,11-tetrafluoro-6-[2-tri(propan-2-yl)silylethynyl]anthra[3,2-g]quinoxalin-13-yl]ethynyl]silane?

The canonical SMILES for tri(propan-2-yl)-[2-[8,9,10,11-tetrafluoro-6-[2-tri(propan-2-yl)silylethynyl]anthra[3,2-g]quinoxalin-13-yl]ethynyl]silane is CC(C)[Si](C#Cc1c2cc3nccnc3cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc3c(F)c(F)c(F)c(F)c3cc12)(C(C)C)C(C)C.

What is the InChIKey of tri(propan-2-yl)-[2-[8,9,10,11-tetrafluoro-6-[2-tri(propan-2-yl)silylethynyl]anthra[3,2-g]quinoxalin-13-yl]ethynyl]silane?

The InChIKey is OIGVYQQODFBUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48F4N2Si2/c1-23(2)49(24(3)4,25(5)6)17-13-29-31-19-35-36(40(44)42(46)41(45)39(35)43)20-32(31)30(14-18-50(26(7)8,27(9)10)28(11)12)34-22-38-37(21-33(29)34)47-15-16-48-38/h15-16,19-28H,1-12H3.

What are the key properties of tri(propan-2-yl)-[2-[8,9,10,11-tetrafluoro-6-[2-tri(propan-2-yl)silylethynyl]anthra[3,2-g]quinoxalin-13-yl]ethynyl]silane?

tri(propan-2-yl)-[2-[8,9,10,11-tetrafluoro-6-[2-tri(propan-2-yl)silylethynyl]anthra[3,2-g]quinoxalin-13-yl]ethynyl]silane has a molecular weight of 713.02 g/mol, XLogP of 12.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[2-[8,9,10,11-tetrafluoro-6-[2-tri(propan-2-yl)silylethynyl]anthra[3,2-g]quinoxalin-13-yl]ethynyl]silane is sourced from PubChem (CID 122224272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).