8,14-bis(4-fluorophenyl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

C54H36BF2N3Si — CID 157266421

About 8,14-bis(4-fluorophenyl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

8,14-bis(4-fluorophenyl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (PubChem CID 157266421) has the molecular formula C54H36BF2N3Si and a molecular weight of 803.80 g/mol. Its IUPAC name is 8,14-bis(4-fluorophenyl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

Molecular Properties

• Compound Name: 8,14-bis(4-fluorophenyl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
• PubChem CID: 157266421
• Molecular Formula: C54H36BF2N3Si
• Molecular Weight: 803.80 g/mol
• Exact Mass: 803.27
• IUPAC Name: 8,14-bis(4-fluorophenyl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
• SMILES: Fc1ccc(N2c3cc(N(c4ccccc4)c4ccccc4)cc4c3B3c5c2cccc5[Si](c2ccccc2)(c2ccccc2)c2cccc(c23)N4c2ccc(F)cc2)cc1
• InChI: InChI=1S/C54H36BF2N3Si/c56-37-27-31-41(32-28-37)59-46-23-13-25-50-53(46)55-52-48(59)35-43(58(39-15-5-1-6-16-39)40-17-7-2-8-18-40)36-49(52)60(42-33-29-38(57)30-34-42)47-24-14-26-51(54(47)55)61(50,44-19-9-3-10-20-44)45-21-11-4-12-22-45/h1-36H
• InChIKey: FHOIMZDKSWZKJY-UHFFFAOYSA-N
• XLogP: 9.21
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.80
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,14-bis(4-fluorophenyl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The IUPAC name of 8,14-bis(4-fluorophenyl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (CID 157266421) is 8,14-bis(4-fluorophenyl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

What is the SMILES notation for 8,14-bis(4-fluorophenyl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The canonical SMILES for 8,14-bis(4-fluorophenyl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is Fc1ccc(N2c3cc(N(c4ccccc4)c4ccccc4)cc4c3B3c5c2cccc5[Si](c2ccccc2)(c2ccccc2)c2cccc(c23)N4c2ccc(F)cc2)cc1.

What is the InChIKey of 8,14-bis(4-fluorophenyl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The InChIKey is FHOIMZDKSWZKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36BF2N3Si/c56-37-27-31-41(32-28-37)59-46-23-13-25-50-53(46)55-52-48(59)35-43(58(39-15-5-1-6-16-39)40-17-7-2-8-18-40)36-49(52)60(42-33-29-38(57)30-34-42)47-24-14-26-51(54(47)55)61(50,44-19-9-3-10-20-44)45-21-11-4-12-22-45/h1-36H.

What are the key properties of 8,14-bis(4-fluorophenyl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

8,14-bis(4-fluorophenyl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine has a molecular weight of 803.80 g/mol, XLogP of 9.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14-bis(4-fluorophenyl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is sourced from PubChem (CID 157266421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).