1-[2,6-di(propan-2-yl)-4-(1,1,3,3-tetramethyl-2H-1,3-benzosilagermol-6-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole

C48H48GeN2OSi — CID 169322532

About 1-[2,6-di(propan-2-yl)-4-(1,1,3,3-tetramethyl-2H-1,3-benzosilagermol-6-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole

1-[2,6-di(propan-2-yl)-4-(1,1,3,3-tetramethyl-2H-1,3-benzosilagermol-6-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole (PubChem CID 169322532) has the molecular formula C48H48GeN2OSi and a molecular weight of 769.62 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)-4-(1,1,3,3-tetramethyl-2H-1,3-benzosilagermol-6-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole.

Molecular Properties

• Compound Name: 1-[2,6-di(propan-2-yl)-4-(1,1,3,3-tetramethyl-2H-1,3-benzosilagermol-6-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
• PubChem CID: 169322532
• Molecular Formula: C48H48GeN2OSi
• Molecular Weight: 769.62 g/mol
• Exact Mass: 770.27
• IUPAC Name: 1-[2,6-di(propan-2-yl)-4-(1,1,3,3-tetramethyl-2H-1,3-benzosilagermol-6-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
• SMILES: CC(C)c1cc(-c2ccc3c(c2)[Si](C)(C)C[Ge]3(C)C)cc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21
• InChI: InChI=1S/C48H48GeN2OSi/c1-30(2)39-25-35(34-22-24-41-45(28-34)53(7,8)29-49(41,5)6)26-40(31(3)4)46(39)51-43-20-13-12-19-42(43)50-48(51)38-18-14-17-37-36-23-21-33(27-44(36)52-47(37)38)32-15-10-9-11-16-32/h9-28,30-31H,29H2,1-8H3
• InChIKey: QVCSOFRPNVAWSN-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 30.96 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.62
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)-4-(1,1,3,3-tetramethyl-2H-1,3-benzosilagermol-6-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole?

The IUPAC name of 1-[2,6-di(propan-2-yl)-4-(1,1,3,3-tetramethyl-2H-1,3-benzosilagermol-6-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole (CID 169322532) is 1-[2,6-di(propan-2-yl)-4-(1,1,3,3-tetramethyl-2H-1,3-benzosilagermol-6-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole.

What is the SMILES notation for 1-[2,6-di(propan-2-yl)-4-(1,1,3,3-tetramethyl-2H-1,3-benzosilagermol-6-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole?

The canonical SMILES for 1-[2,6-di(propan-2-yl)-4-(1,1,3,3-tetramethyl-2H-1,3-benzosilagermol-6-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole is CC(C)c1cc(-c2ccc3c(c2)[Si](C)(C)C[Ge]3(C)C)cc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.

What is the InChIKey of 1-[2,6-di(propan-2-yl)-4-(1,1,3,3-tetramethyl-2H-1,3-benzosilagermol-6-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole?

The InChIKey is QVCSOFRPNVAWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48GeN2OSi/c1-30(2)39-25-35(34-22-24-41-45(28-34)53(7,8)29-49(41,5)6)26-40(31(3)4)46(39)51-43-20-13-12-19-42(43)50-48(51)38-18-14-17-37-36-23-21-33(27-44(36)52-47(37)38)32-15-10-9-11-16-32/h9-28,30-31H,29H2,1-8H3.

What are the key properties of 1-[2,6-di(propan-2-yl)-4-(1,1,3,3-tetramethyl-2H-1,3-benzosilagermol-6-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole?

1-[2,6-di(propan-2-yl)-4-(1,1,3,3-tetramethyl-2H-1,3-benzosilagermol-6-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole has a molecular weight of 769.62 g/mol, XLogP of 12.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-di(propan-2-yl)-4-(1,1,3,3-tetramethyl-2H-1,3-benzosilagermol-6-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole is sourced from PubChem (CID 169322532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).