14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine

C64H46BN3Si — CID 162507221

About 14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine

14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine (PubChem CID 162507221) has the molecular formula C64H46BN3Si and a molecular weight of 895.99 g/mol. Its IUPAC name is 14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine.

Molecular Properties

• Compound Name: 14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine
• PubChem CID: 162507221
• Molecular Formula: C64H46BN3Si
• Molecular Weight: 895.99 g/mol
• Exact Mass: 895.36
• IUPAC Name: 14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine
• SMILES: c1ccc(N(c2ccccc2)c2cccc(N3c4cc(N(c5ccccc5)c5ccccc5)ccc4B4c5ccccc5[Si](c5ccccc5)(c5ccc6ccccc6c5)c5cccc3c54)c2)cc1
• InChI: InChI=1S/C64H46BN3Si/c1-6-24-49(25-7-1)66(50-26-8-2-9-27-50)53-32-20-33-54(45-53)68-60-37-21-39-63-64(60)65(58-43-41-55(46-61(58)68)67(51-28-10-3-11-29-51)52-30-12-4-13-31-52)59-36-18-19-38-62(59)69(63,56-34-14-5-15-35-56)57-42-40-47-22-16-17-23-48(47)44-57/h1-46H
• InChIKey: WFKGKBASQMOVTQ-UHFFFAOYSA-N
• XLogP: 11.77
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.99
LogP ≤ 5	11.77
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 14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine?

The IUPAC name of 14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine (CID 162507221) is 14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine.

What is the SMILES notation for 14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine?

The canonical SMILES for 14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine is c1ccc(N(c2ccccc2)c2cccc(N3c4cc(N(c5ccccc5)c5ccccc5)ccc4B4c5ccccc5[Si](c5ccccc5)(c5ccc6ccccc6c5)c5cccc3c54)c2)cc1.

What is the InChIKey of 14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine?

The InChIKey is WFKGKBASQMOVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46BN3Si/c1-6-24-49(25-7-1)66(50-26-8-2-9-27-50)53-32-20-33-54(45-53)68-60-37-21-39-63-64(60)65(58-43-41-55(46-61(58)68)67(51-28-10-3-11-29-51)52-30-12-4-13-31-52)59-36-18-19-38-62(59)69(63,56-34-14-5-15-35-56)57-42-40-47-22-16-17-23-48(47)44-57/h1-46H.

What are the key properties of 14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine?

14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine has a molecular weight of 895.99 g/mol, XLogP of 11.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine is sourced from PubChem (CID 162507221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).