10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14,21-triphenyl-8,10,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

C56H40FN5Si — CID 140954631

About 10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14,21-triphenyl-8,10,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14,21-triphenyl-8,10,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (PubChem CID 140954631) has the molecular formula C56H40FN5Si and a molecular weight of 830.06 g/mol. Its IUPAC name is 10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14,21-triphenyl-8,10,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14,21-triphenyl-8,10,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
• PubChem CID: 140954631
• Molecular Formula: C56H40FN5Si
• Molecular Weight: 830.06 g/mol
• Exact Mass: 829.30
• IUPAC Name: 10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14,21-triphenyl-8,10,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
• SMILES: Cn1c(-c2cccc(C(F)c3cccc(-n4c5cc6c(cc5c5cccnc54)N(c4ccccc4)c4ccccc4[Si]6(c4ccccc4)c4ccccc4)c3)c2)nc2ccccc21
• InChI: InChI=1S/C56H40FN5Si/c1-60-48-30-12-11-29-47(48)59-55(60)40-20-15-18-38(34-40)54(57)39-19-16-23-42(35-39)62-50-37-53-51(36-46(50)45-28-17-33-58-56(45)62)61(41-21-5-2-6-22-41)49-31-13-14-32-52(49)63(53,43-24-7-3-8-25-43)44-26-9-4-10-27-44/h2-37,54H,1H3
• InChIKey: IPKGOXODABDFHH-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-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14,21-triphenyl-8,10,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?

The IUPAC name of 10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14,21-triphenyl-8,10,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (CID 140954631) is 10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14,21-triphenyl-8,10,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene.

What is the SMILES notation for 10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14,21-triphenyl-8,10,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?

The canonical SMILES for 10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14,21-triphenyl-8,10,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is Cn1c(-c2cccc(C(F)c3cccc(-n4c5cc6c(cc5c5cccnc54)N(c4ccccc4)c4ccccc4[Si]6(c4ccccc4)c4ccccc4)c3)c2)nc2ccccc21.

What is the InChIKey of 10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14,21-triphenyl-8,10,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?

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

What are the key properties of 10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14,21-triphenyl-8,10,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?

10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14,21-triphenyl-8,10,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 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-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14,21-triphenyl-8,10,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is sourced from PubChem (CID 140954631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).