tri(propan-2-yl)-[2-[6-[2-tri(propan-2-yl)silylethynyl]-7,12-dihydroquinoxalino[2,3-b]phenazin-13-yl]ethynyl]silane

C40H52N4Si2 — CID 101466657

About tri(propan-2-yl)-[2-[6-[2-tri(propan-2-yl)silylethynyl]-7,12-dihydroquinoxalino[2,3-b]phenazin-13-yl]ethynyl]silane

tri(propan-2-yl)-[2-[6-[2-tri(propan-2-yl)silylethynyl]-7,12-dihydroquinoxalino[2,3-b]phenazin-13-yl]ethynyl]silane (PubChem CID 101466657) has the molecular formula C40H52N4Si2 and a molecular weight of 645.06 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[6-[2-tri(propan-2-yl)silylethynyl]-7,12-dihydroquinoxalino[2,3-b]phenazin-13-yl]ethynyl]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[2-[6-[2-tri(propan-2-yl)silylethynyl]-7,12-dihydroquinoxalino[2,3-b]phenazin-13-yl]ethynyl]silane
• PubChem CID: 101466657
• Molecular Formula: C40H52N4Si2
• Molecular Weight: 645.06 g/mol
• Exact Mass: 644.37
• IUPAC Name: tri(propan-2-yl)-[2-[6-[2-tri(propan-2-yl)silylethynyl]-7,12-dihydroquinoxalino[2,3-b]phenazin-13-yl]ethynyl]silane
• SMILES: CC(C)[Si](C#Cc1c2c(c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3nc4ccccc4nc13)Nc1ccccc1N2)(C(C)C)C(C)C
• InChI: InChI=1S/C40H52N4Si2/c1-25(2)45(26(3)4,27(5)6)23-21-31-37-39(43-35-19-15-13-17-33(35)41-37)32(22-24-46(28(7)8,29(9)10)30(11)12)40-38(31)42-34-18-14-16-20-36(34)44-40/h13-20,25-30,41,43H,1-12H3
• InChIKey: RAJKYGLQHMAIAU-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 49.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.06
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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-[6-[2-tri(propan-2-yl)silylethynyl]-7,12-dihydroquinoxalino[2,3-b]phenazin-13-yl]ethynyl]silane?

The IUPAC name of tri(propan-2-yl)-[2-[6-[2-tri(propan-2-yl)silylethynyl]-7,12-dihydroquinoxalino[2,3-b]phenazin-13-yl]ethynyl]silane (CID 101466657) is tri(propan-2-yl)-[2-[6-[2-tri(propan-2-yl)silylethynyl]-7,12-dihydroquinoxalino[2,3-b]phenazin-13-yl]ethynyl]silane.

What is the SMILES notation for tri(propan-2-yl)-[2-[6-[2-tri(propan-2-yl)silylethynyl]-7,12-dihydroquinoxalino[2,3-b]phenazin-13-yl]ethynyl]silane?

The canonical SMILES for tri(propan-2-yl)-[2-[6-[2-tri(propan-2-yl)silylethynyl]-7,12-dihydroquinoxalino[2,3-b]phenazin-13-yl]ethynyl]silane is CC(C)[Si](C#Cc1c2c(c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3nc4ccccc4nc13)Nc1ccccc1N2)(C(C)C)C(C)C.

What is the InChIKey of tri(propan-2-yl)-[2-[6-[2-tri(propan-2-yl)silylethynyl]-7,12-dihydroquinoxalino[2,3-b]phenazin-13-yl]ethynyl]silane?

The InChIKey is RAJKYGLQHMAIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52N4Si2/c1-25(2)45(26(3)4,27(5)6)23-21-31-37-39(43-35-19-15-13-17-33(35)41-37)32(22-24-46(28(7)8,29(9)10)30(11)12)40-38(31)42-34-18-14-16-20-36(34)44-40/h13-20,25-30,41,43H,1-12H3.

What are the key properties of tri(propan-2-yl)-[2-[6-[2-tri(propan-2-yl)silylethynyl]-7,12-dihydroquinoxalino[2,3-b]phenazin-13-yl]ethynyl]silane?

tri(propan-2-yl)-[2-[6-[2-tri(propan-2-yl)silylethynyl]-7,12-dihydroquinoxalino[2,3-b]phenazin-13-yl]ethynyl]silane has a molecular weight of 645.06 g/mol, XLogP of 11.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[2-[6-[2-tri(propan-2-yl)silylethynyl]-7,12-dihydroquinoxalino[2,3-b]phenazin-13-yl]ethynyl]silane is sourced from PubChem (CID 101466657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).