10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

C47H32FN3OSi — CID 140951602

About 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-14-oxa-8,10-diaza-21-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-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-14-oxa-8,10-diaza-21-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 140951602) has the molecular formula C47H32FN3OSi and a molecular weight of 701.88 g/mol. Its IUPAC name is 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-14-oxa-8,10-diaza-21-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-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-14-oxa-8,10-diaza-21-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: 140951602
• Molecular Formula: C47H32FN3OSi
• Molecular Weight: 701.88 g/mol
• Exact Mass: 701.23
• IUPAC Name: 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
• SMILES: FC(c1cccc(-c2ccccn2)c1)c1cccc(-n2c3cc4c(cc3c3cccnc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2O4)c1
• InChI: InChI=1S/C47H32FN3OSi/c48-46(33-15-11-14-32(28-33)40-23-9-10-26-49-40)34-16-12-17-35(29-34)51-41-31-43-45(30-39(41)38-22-13-27-50-47(38)51)53(36-18-3-1-4-19-36,37-20-5-2-6-21-37)44-25-8-7-24-42(44)52-43/h1-31,46H
• InChIKey: BXKDSZUBCKKMKC-UHFFFAOYSA-N
• XLogP: 8.78
• TPSA: 39.94 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	8.78
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 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-14-oxa-8,10-diaza-21-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-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (CID 140951602) is 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-14-oxa-8,10-diaza-21-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-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-14-oxa-8,10-diaza-21-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-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is FC(c1cccc(-c2ccccn2)c1)c1cccc(-n2c3cc4c(cc3c3cccnc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2O4)c1.

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

What are the key properties of 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-14-oxa-8,10-diaza-21-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-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-14-oxa-8,10-diaza-21-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 701.88 g/mol, XLogP of 8.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-diphenyl-14-oxa-8,10-diaza-21-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 140951602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).