11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole

C55H39N5OSi — CID 140955513

About 11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole

11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole (PubChem CID 140955513) has the molecular formula C55H39N5OSi and a molecular weight of 814.04 g/mol. Its IUPAC name is 11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole.

Molecular Properties

• Compound Name: 11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole
• PubChem CID: 140955513
• Molecular Formula: C55H39N5OSi
• Molecular Weight: 814.04 g/mol
• Exact Mass: 813.29
• IUPAC Name: 11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole
• SMILES: Cn1c(-c2cccc(Oc3ccc4c(c3)N(c3ccccn3)c3c(ccc5c3c3ccccc3n5-c3ccccc3)[Si]4(c3ccccc3)c3ccccc3)c2)nc2ccccc21
• InChI: InChI=1S/C55H39N5OSi/c1-58-47-29-14-12-27-45(47)57-55(58)38-18-17-21-40(36-38)61-41-31-33-50-49(37-41)60(52-30-15-16-35-56-52)54-51(62(50,42-22-7-3-8-23-42)43-24-9-4-10-25-43)34-32-48-53(54)44-26-11-13-28-46(44)59(48)39-19-5-2-6-20-39/h2-37H,1H3
• InChIKey: XXZODQGWOJOUGC-UHFFFAOYSA-N
• XLogP: 10.69
• TPSA: 48.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.04
LogP ≤ 5	10.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole?

The IUPAC name of 11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole (CID 140955513) is 11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole.

What is the SMILES notation for 11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole?

The canonical SMILES for 11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole is Cn1c(-c2cccc(Oc3ccc4c(c3)N(c3ccccn3)c3c(ccc5c3c3ccccc3n5-c3ccccc3)[Si]4(c3ccccc3)c3ccccc3)c2)nc2ccccc21.

What is the InChIKey of 11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole?

The InChIKey is XXZODQGWOJOUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N5OSi/c1-58-47-29-14-12-27-45(47)57-55(58)38-18-17-21-40(36-38)61-41-31-33-50-49(37-41)60(52-30-15-16-35-56-52)54-51(62(50,42-22-7-3-8-23-42)43-24-9-4-10-25-43)34-32-48-53(54)44-26-11-13-28-46(44)59(48)39-19-5-2-6-20-39/h2-37H,1H3.

What are the key properties of 11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole?

11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole has a molecular weight of 814.04 g/mol, XLogP of 10.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole is sourced from PubChem (CID 140955513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).