8-[2,6-bis(2-phenylphenyl)phenyl]-4,11,18-tritert-butyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

C72H66BNSi — CID 176790323

About 8-[2,6-bis(2-phenylphenyl)phenyl]-4,11,18-tritert-butyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

8-[2,6-bis(2-phenylphenyl)phenyl]-4,11,18-tritert-butyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (PubChem CID 176790323) has the molecular formula C72H66BNSi and a molecular weight of 984.23 g/mol. Its IUPAC name is 8-[2,6-bis(2-phenylphenyl)phenyl]-4,11,18-tritert-butyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 8-[2,6-bis(2-phenylphenyl)phenyl]-4,11,18-tritert-butyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
• PubChem CID: 176790323
• Molecular Formula: C72H66BNSi
• Molecular Weight: 984.23 g/mol
• Exact Mass: 983.51
• IUPAC Name: 8-[2,6-bis(2-phenylphenyl)phenyl]-4,11,18-tritert-butyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
• SMILES: CC(C)(C)c1ccc2c(c1)B1c3cc(C(C)(C)C)ccc3[Si](c3ccccc3)(c3ccccc3)c3cc(C(C)(C)C)cc(c31)N2c1c(-c2ccccc2-c2ccccc2)cccc1-c1ccccc1-c1ccccc1
• InChI: InChI=1S/C72H66BNSi/c1-70(2,3)51-41-43-64-62(45-51)73-63-46-52(71(4,5)6)42-44-66(63)75(54-31-18-12-19-32-54,55-33-20-13-21-34-55)67-48-53(72(7,8)9)47-65(68(67)73)74(64)69-60(58-37-24-22-35-56(58)49-27-14-10-15-28-49)39-26-40-61(69)59-38-25-23-36-57(59)50-29-16-11-17-30-50/h10-48H,1-9H3
• InChIKey: ZZXWACFMDYYNNO-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.23
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[2,6-bis(2-phenylphenyl)phenyl]-4,11,18-tritert-butyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?

The IUPAC name of 8-[2,6-bis(2-phenylphenyl)phenyl]-4,11,18-tritert-butyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (CID 176790323) is 8-[2,6-bis(2-phenylphenyl)phenyl]-4,11,18-tritert-butyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.

What is the SMILES notation for 8-[2,6-bis(2-phenylphenyl)phenyl]-4,11,18-tritert-butyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?

The canonical SMILES for 8-[2,6-bis(2-phenylphenyl)phenyl]-4,11,18-tritert-butyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is CC(C)(C)c1ccc2c(c1)B1c3cc(C(C)(C)C)ccc3[Si](c3ccccc3)(c3ccccc3)c3cc(C(C)(C)C)cc(c31)N2c1c(-c2ccccc2-c2ccccc2)cccc1-c1ccccc1-c1ccccc1.

What is the InChIKey of 8-[2,6-bis(2-phenylphenyl)phenyl]-4,11,18-tritert-butyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?

The InChIKey is ZZXWACFMDYYNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H66BNSi/c1-70(2,3)51-41-43-64-62(45-51)73-63-46-52(71(4,5)6)42-44-66(63)75(54-31-18-12-19-32-54,55-33-20-13-21-34-55)67-48-53(72(7,8)9)47-65(68(67)73)74(64)69-60(58-37-24-22-35-56(58)49-27-14-10-15-28-49)39-26-40-61(69)59-38-25-23-36-57(59)50-29-16-11-17-30-50/h10-48H,1-9H3.

What are the key properties of 8-[2,6-bis(2-phenylphenyl)phenyl]-4,11,18-tritert-butyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?

8-[2,6-bis(2-phenylphenyl)phenyl]-4,11,18-tritert-butyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene has a molecular weight of 984.23 g/mol, XLogP of 14.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2,6-bis(2-phenylphenyl)phenyl]-4,11,18-tritert-butyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 176790323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).