[8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane

C29H27N3OSi — CID 176722750

About [8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane

[8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane (PubChem CID 176722750) has the molecular formula C29H27N3OSi and a molecular weight of 461.64 g/mol. Its IUPAC name is [8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane
• PubChem CID: 176722750
• Molecular Formula: C29H27N3OSi
• Molecular Weight: 461.64 g/mol
• Exact Mass: 461.19
• IUPAC Name: [8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane
• SMILES: Cc1cc2ccc3c(-c4ccc(C)c5c4oc4ncccc45)ncnc3c2c(C)c1[Si](C)(C)C
• InChI: InChI=1S/C29H27N3OSi/c1-16-9-11-22(27-23(16)20-8-7-13-30-29(20)33-27)25-21-12-10-19-14-17(2)28(34(4,5)6)18(3)24(19)26(21)32-15-31-25/h7-15H,1-6H3
• InChIKey: KEQLGULNMRAUIY-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.64
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane?

The IUPAC name of [8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane (CID 176722750) is [8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane.

What is the SMILES notation for [8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane?

The canonical SMILES for [8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane is Cc1cc2ccc3c(-c4ccc(C)c5c4oc4ncccc45)ncnc3c2c(C)c1[Si](C)(C)C.

What is the InChIKey of [8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane?

The InChIKey is KEQLGULNMRAUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3OSi/c1-16-9-11-22(27-23(16)20-8-7-13-30-29(20)33-27)25-21-12-10-19-14-17(2)28(34(4,5)6)18(3)24(19)26(21)32-15-31-25/h7-15H,1-6H3.

What are the key properties of [8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane?

[8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane has a molecular weight of 461.64 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane is sourced from PubChem (CID 176722750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).