7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole

C56H40FN5Si — CID 140951950

About 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole

7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole (PubChem CID 140951950) has the molecular formula C56H40FN5Si and a molecular weight of 830.06 g/mol. Its IUPAC name is 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole.

Molecular Properties

• Compound Name: 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole
• PubChem CID: 140951950
• Molecular Formula: C56H40FN5Si
• Molecular Weight: 830.06 g/mol
• Exact Mass: 829.30
• IUPAC Name: 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole
• SMILES: Cn1c(-c2cccc(C(F)c3cc4c(c5c6ccccc6n(-c6ccccc6)c35)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccn3)c2)nc2ccccc21
• InChI: InChI=1S/C56H40FN5Si/c1-60-47-31-14-12-29-45(47)59-56(60)39-21-19-20-38(36-39)53(57)44-37-49-55(52-43-28-11-13-30-46(43)61(54(44)52)40-22-5-2-6-23-40)63(41-24-7-3-8-25-41,42-26-9-4-10-27-42)50-33-16-15-32-48(50)62(49)51-34-17-18-35-58-51/h2-37,53H,1H3
• InChIKey: WXBDQMNMQXMUHE-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 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole?

The IUPAC name of 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole (CID 140951950) is 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole.

What is the SMILES notation for 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole?

The canonical SMILES for 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole is Cn1c(-c2cccc(C(F)c3cc4c(c5c6ccccc6n(-c6ccccc6)c35)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccn3)c2)nc2ccccc21.

What is the InChIKey of 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole?

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

What are the key properties of 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole?

7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]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 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole is sourced from PubChem (CID 140951950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).