10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole

C56H40FN5Si — CID 140952067

About 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole

10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole (PubChem CID 140952067) has the molecular formula C56H40FN5Si and a molecular weight of 830.06 g/mol. Its IUPAC name is 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole.

Molecular Properties

• Compound Name: 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole
• PubChem CID: 140952067
• Molecular Formula: C56H40FN5Si
• Molecular Weight: 830.06 g/mol
• Exact Mass: 829.30
• IUPAC Name: 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole
• SMILES: Cn1c(-c2cccc(C(F)c3ccc4c5ccc6c(c5n(-c5ccccn5)c4c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N6c3ccccc3)c2)nc2ccccc21
• InChI: InChI=1S/C56H40FN5Si/c1-60-47-27-12-11-26-46(47)59-56(60)40-19-17-18-38(36-40)53(57)39-31-32-44-45-33-34-49-55(54(45)62(50(44)37-39)52-30-15-16-35-58-52)63(42-22-7-3-8-23-42,43-24-9-4-10-25-43)51-29-14-13-28-48(51)61(49)41-20-5-2-6-21-41/h2-37,53H,1H3
• InChIKey: YDWZVCQAQFYOFY-UHFFFAOYSA-N
• XLogP: 10.95
• TPSA: 38.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.06
LogP ≤ 5	10.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole?

The IUPAC name of 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole (CID 140952067) is 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole.

What is the SMILES notation for 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole?

The canonical SMILES for 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole is Cn1c(-c2cccc(C(F)c3ccc4c5ccc6c(c5n(-c5ccccn5)c4c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N6c3ccccc3)c2)nc2ccccc21.

What is the InChIKey of 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole?

The InChIKey is YDWZVCQAQFYOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40FN5Si/c1-60-47-27-12-11-26-46(47)59-56(60)40-19-17-18-38(36-40)53(57)39-31-32-44-45-33-34-49-55(54(45)62(50(44)37-39)52-30-15-16-35-58-52)63(42-22-7-3-8-23-42,43-24-9-4-10-25-43)51-29-14-13-28-48(51)61(49)41-20-5-2-6-21-41/h2-37,53H,1H3.

What are the key properties of 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole?

10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole has a molecular weight of 830.06 g/mol, XLogP of 10.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole is sourced from PubChem (CID 140952067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).