21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14-diphenyl-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene

C50H35FN4OSi — CID 140955340

About 21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14-diphenyl-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene

21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14-diphenyl-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene (PubChem CID 140955340) has the molecular formula C50H35FN4OSi and a molecular weight of 754.94 g/mol. Its IUPAC name is 21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14-diphenyl-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14-diphenyl-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene
• PubChem CID: 140955340
• Molecular Formula: C50H35FN4OSi
• Molecular Weight: 754.94 g/mol
• Exact Mass: 754.26
• IUPAC Name: 21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14-diphenyl-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene
• SMILES: Cn1c(-c2cccc(C(F)c3cccc(N4c5ncccc5[Si](c5ccccc5)(c5ccccc5)c5ccc6c(oc7ccccc76)c54)c3)c2)nc2ccccc21
• InChI: InChI=1S/C50H35FN4OSi/c1-54-42-25-10-9-24-41(42)53-49(54)35-17-12-15-33(31-35)46(51)34-16-13-18-36(32-34)55-47-44(29-28-40-39-23-8-11-26-43(39)56-48(40)47)57(37-19-4-2-5-20-37,38-21-6-3-7-22-38)45-27-14-30-52-50(45)55/h2-32,46H,1H3
• InChIKey: BINZRTYKILNEJV-UHFFFAOYSA-N
• XLogP: 9.75
• TPSA: 47.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.94
LogP ≤ 5	9.75
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 21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14-diphenyl-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?

The IUPAC name of 21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14-diphenyl-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene (CID 140955340) is 21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14-diphenyl-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene.

What is the SMILES notation for 21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14-diphenyl-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?

The canonical SMILES for 21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14-diphenyl-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene is Cn1c(-c2cccc(C(F)c3cccc(N4c5ncccc5[Si](c5ccccc5)(c5ccccc5)c5ccc6c(oc7ccccc76)c54)c3)c2)nc2ccccc21.

What is the InChIKey of 21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14-diphenyl-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?

The InChIKey is BINZRTYKILNEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35FN4OSi/c1-54-42-25-10-9-24-41(42)53-49(54)35-17-12-15-33(31-35)46(51)34-16-13-18-36(32-34)55-47-44(29-28-40-39-23-8-11-26-43(39)56-48(40)47)57(37-19-4-2-5-20-37,38-21-6-3-7-22-38)45-27-14-30-52-50(45)55/h2-32,46H,1H3.

What are the key properties of 21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14-diphenyl-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?

21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14-diphenyl-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene has a molecular weight of 754.94 g/mol, XLogP of 9.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14-diphenyl-3-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene is sourced from PubChem (CID 140955340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).