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

C47H32FN3OSi — CID 140954488

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

14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-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 140954488) has the molecular formula C47H32FN3OSi and a molecular weight of 701.88 g/mol. Its IUPAC name is 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-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: 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-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: 140954488
• Molecular Formula: C47H32FN3OSi
• Molecular Weight: 701.88 g/mol
• Exact Mass: 701.23
• IUPAC Name: 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-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: FC(c1cccc(-c2ccccn2)c1)c1cccc(N2c3ccc4c(oc5ccccc54)c3[Si](c3ccccc3)(c3ccccc3)c3cccnc32)c1
• InChI: InChI=1S/C47H32FN3OSi/c48-44(33-15-11-14-32(30-33)40-23-9-10-28-49-40)34-16-12-17-35(31-34)51-41-27-26-39-38-22-7-8-24-42(38)52-45(39)46(41)53(36-18-3-1-4-19-36,37-20-5-2-6-21-37)43-25-13-29-50-47(43)51/h1-31,44H
• InChIKey: JUDOVZBZUQMBOR-UHFFFAOYSA-N
• XLogP: 9.26
• TPSA: 42.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.88
LogP ≤ 5	9.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-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 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-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 140954488) is 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-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 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-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 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-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 FC(c1cccc(-c2ccccn2)c1)c1cccc(N2c3ccc4c(oc5ccccc54)c3[Si](c3ccccc3)(c3ccccc3)c3cccnc32)c1.

What is the InChIKey of 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-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 JUDOVZBZUQMBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32FN3OSi/c48-44(33-15-11-14-32(30-33)40-23-9-10-28-49-40)34-16-12-17-35(31-34)51-41-27-26-39-38-22-7-8-24-42(38)52-45(39)46(41)53(36-18-3-1-4-19-36,37-20-5-2-6-21-37)43-25-13-29-50-47(43)51/h1-31,44H.

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

14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-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 701.88 g/mol, XLogP of 9.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-3-oxa-14,16-diaza-21-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 140954488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).